Butylene glycol diacetate
TL;DR: Butylene glycol diacetate (CAS 628-67-1) 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.
4-acetyloxybutyl acetate
Also Known As: 1,4-Diacetoxybutane, 1,4-Butanediol diacetate, Tetramethylene diacetate, Tetramethylene acetate, 4-acetyloxybutyl acetate
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 628-67-1 |
|---|---|
| SMILES | CC(=O)OCCCCOC(=O)C |
| InChIKey | XUKSWKGOQKREON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butylene glycol diacetate (CAS 628-67-1), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 4-acetyloxybutyl acetate.
Chemical Property Profile of Butylene glycol diacetate
Property Insights of Butylene glycol diacetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylene glycol diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Butylene glycol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylene glycol 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 Butylene glycol diacetate?
The CAS number of Butylene glycol diacetate is 628-67-1.
What is the molecular formula of Butylene glycol diacetate?
The molecular formula of Butylene glycol diacetate is C8H14O4.
What is the molecular weight of Butylene glycol diacetate?
The molecular weight of Butylene glycol diacetate is 174.09 g/mol.
Where can I buy Butylene glycol diacetate?
You can request a quote for Butylene glycol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butylene glycol diacetate?
Yes, KEHONG BIO provides custom synthesis services for Butylene glycol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.