1,3-Butanediol diacetate, (+)-
TL;DR: 1,3-Butanediol diacetate, (+)- (CAS 140459-98-9) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S)-3-acetyloxybutyl] acetate
Also Known As: 1,3-Butanediol diacetate, (+)-, (S)-1,3-Diacetoxybutane, 1,3-Butylene glycol diacetate, (S)-1,3-butanediol diacetate, 1,3-Butanediol, 1,3-diacetate, (3S)-
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.8912 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 164.4408 |
Chemical Identifiers
| CAS Number | 140459-98-9 |
|---|---|
| SMILES | C[C@@H](CCOC(=O)C)OC(=O)C |
Product Overview
1,3-Butanediol diacetate, (+)- (CAS 140459-98-9), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: [(3S)-3-acetyloxybutyl] acetate.
Chemical Property Profile of 1,3-Butanediol diacetate, (+)-
Property Insights of 1,3-Butanediol diacetate, (+)-
The XLogP value of 0.8912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butanediol diacetate, (+)-. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Butanediol diacetate, (+)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Butanediol diacetate, (+)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Butanediol diacetate, (+)-?
The CAS number of 1,3-Butanediol diacetate, (+)- is 140459-98-9.
What is the molecular formula of 1,3-Butanediol diacetate, (+)-?
The molecular formula of 1,3-Butanediol diacetate, (+)- is C8H14O4.
What is the molecular weight of 1,3-Butanediol diacetate, (+)-?
The molecular weight of 1,3-Butanediol diacetate, (+)- is 174.09 g/mol.
Where can I buy 1,3-Butanediol diacetate, (+)-?
You can request a quote for 1,3-Butanediol diacetate, (+)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Butanediol diacetate, (+)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Butanediol diacetate, (+)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.