Butanediol, diacetate
TL;DR: Butanediol, diacetate (CAS 29949-17-5) 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.
1-acetyloxybutyl acetate
Also Known As: diacetoxybutane, Butanediol, diacetate, Butylidenediacetate, Butylidenebisacetate, butanediol diacetate
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 29949-17-5 |
|---|---|
| SMILES | CCCC(OC(=O)C)OC(=O)C |
| InChIKey | KYCXTUXIIANKNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanediol, diacetate (CAS 29949-17-5), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 1-acetyloxybutyl acetate.
Chemical Property Profile of Butanediol, diacetate
Property Insights of Butanediol, diacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanediol, diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Butanediol, diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 Butanediol, diacetate?
The CAS number of Butanediol, diacetate is 29949-17-5.
What is the molecular formula of Butanediol, diacetate?
The molecular formula of Butanediol, diacetate is C8H14O4.
What is the molecular weight of Butanediol, diacetate?
The molecular weight of Butanediol, diacetate is 174.09 g/mol.
Where can I buy Butanediol, diacetate?
You can request a quote for Butanediol, diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanediol, diacetate?
Yes, KEHONG BIO provides custom synthesis services for Butanediol, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.