Basic information
- CAS
53370-44-8- Standard SMILES
CCCC(=O)Oc1cc(C)c(OC(=O)CCC)c2ccccc12- InChIKey
TUWJQNVAGYRRHA-UHFFFAOYSA-N- Molecular formula
- C19H22O4
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.15180918
Overview
Menadiol dibutyrate is a member of naphthalenes.
Names & identifiers
- Preferred name
- 1,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoate
- IUPAC
- (4-butanoyloxy-3-methylnaphthalen-1-yl) butanoate
- English name
- menadiol dibutyrate
- Molecular formula
- C19H22O4
- Molecular weight
- 314.38
Names & synonyms
Menadiol dibutyrate53370-44-8L0317768DUDTXSID602015364-(butanoyloxy)-2-methylnaphthalen-1-yl butanoateRefChem:1051517DTXCID901240271,1'-(2-Methyl-1,4-naphthalenediyl) dibutanoateKaranumMenadiol-dibutyratVitamin K4-dibutyrat2-Methyl-1,4-naphthalenediol dibutyrate
Show more names
BRN3425478BRN-3425478(4-Butanoyloxy-2-methylnaphthalen-1-yl)butanoateButanoic acid, 1,1'-(2-methyl-1,4-naphthalenediyl) ester
(4-butanoyloxy-3-methylnaphthalen-1-yl) butanoate1,4-NAPHTHALENEDIOL, 2-METHYL-, DIBUTYRATE2-Methyl-1,4-naphthohydrochinon-dibutyratKaranum [German]Vitamin K4-dibutyrat [German]Menadiol-dibutyrat [German]BRN 3425478Karan
Database identifiers
- CAS
53370-44-8- PubChem CID
- 40747
- DTXSID
DTXSID60201536- ChEBI
CHEBI:172543
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
Melting Point53 °C
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 317768 DU · L0317768DU
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers3 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Menadiol dibutyrate is a member of naphthalenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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