기본 정보
- CAS
67914-85-6- 표준 SMILES
OC[C@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1- InChIKey
NKUOWQPBYUKRIM-GWCFXTLKSA-N- 분자식
- C13H13Cl2N3O3
- 평균 분자량
- 330.16 g/mol
- 단동위원소 질량
- 329.0333967
이름 및 식별자
- 우선 이름
- ((2S,4R)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol
- IUPAC
- [(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
- 영어명
- cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol
- 분자식
- C13H13Cl2N3O3
- 분자량
- 330.17
이름 및 동의어
Itraconazole Impurity 30((2S,4R)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanolrel-((2R,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methanol; (2R,4S)-rel-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanolSCHEMBL8471622DTXSID801036395DB-1979081,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, (2R,4S)-rel-rel-(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanolItracozoleImpurity13Itraconazole Impurity 35Itraconazole Impurity 14(and enantiomer)cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol
이름 더 보기
CIS-2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YLMETHANOLCIS-2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOLE- 1-YLMETHYL)-1,3-DIOXOLANE-4-METHANOLCis-2-(2,4-Dichlorophenyl)-2-(1 H-1,2,4-Triazole-1-ylmethyl)-1,3-dioxalane-4-methanol
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 69.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 366
물리화학적 성질
- 녹는점
- 126 · 126-129°C
- 끓는 점
- 519.4 · 519.4±60.0 °C(Predicted)
- 밀도
- 1.52 g/cm3 · 1.52g/cm3 at 20℃
- 증기압
- 0 · 0-0Pa at 20-25℃
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 14.2 · 14.20±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- LogP
- 1.7 at · 1.7 at pH7
화학 및 산업
응용 분야
용도cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol is an Itraconazole(I937500) Intermediate. Itraconazole(I937500) is an orally active antimycotic structurally related to Ketoconazol.
공급사31 곳
济南百隆化学有限公司[email protected] · [email protected]
江苏杏林医药有限公司18036652731 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
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