1,2-Butanediol diacetate
TL;DR: 1,2-Butanediol diacetate (CAS 13814-27-2) 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.
2-acetyloxybutyl acetate
Also Known As: 1,2-diacetoxybutane, 2-acetyloxybutyl Acetate, 1,2-butanediol diacetate, butane-1,2-diyl diacetate, Diacetic acid 1,2-butanediyl
| 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 | 13814-27-2 |
|---|---|
| SMILES | CCC(COC(=O)C)OC(=O)C |
Product Overview
1,2-Butanediol diacetate (CAS 13814-27-2), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 2-acetyloxybutyl acetate.
Chemical Property Profile of 1,2-Butanediol diacetate
Property Insights of 1,2-Butanediol diacetate
The XLogP value of 0.8912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Butanediol diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Butanediol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-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 1,2-Butanediol diacetate?
The CAS number of 1,2-Butanediol diacetate is 13814-27-2.
What is the molecular formula of 1,2-Butanediol diacetate?
The molecular formula of 1,2-Butanediol diacetate is C8H14O4.
What is the molecular weight of 1,2-Butanediol diacetate?
The molecular weight of 1,2-Butanediol diacetate is 174.09 g/mol.
Where can I buy 1,2-Butanediol diacetate?
You can request a quote for 1,2-Butanediol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Butanediol diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Butanediol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.