Hexanedioic acid--butane-1,3-diyl diacetate (1/1)
TL;DR: Hexanedioic acid--butane-1,3-diyl diacetate (1/1) (CAS 67989-20-2) is a chemical compound with molecular formula C14H24O8 and molecular weight 320.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyloxybutyl acetate;hexanedioic acid
Also Known As: 3-acetyloxybutyl acetate; hexanedioic acid, 1,3-Butylene glycol adipate polymer, diacetate, Hexanedioic acid, polymer with 1,3-butanediol, diacetate, Hexanedioic acid--butane-1,3-diyl diacetate (1/1)
| Molecular Formula | C14H24O8 |
|---|---|
| Molecular Weight | 320.15 g/mol |
| LogP | 1.6072 |
| Topological Polar Surface Area | 127.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 320.14713 |
| Heavy Atoms | 22 |
| Complexity | 347.85434 |
Chemical Identifiers
| CAS Number | 67989-20-2 |
|---|---|
| SMILES | CC(CCOC(=O)C)OC(=O)C.C(CCC(=O)O)CC(=O)O |
Product Overview
Hexanedioic acid--butane-1,3-diyl diacetate (1/1) (CAS 67989-20-2), with molecular formula C14H24O8 and molecular weight 320.15 g/mol. IUPAC: 3-acetyloxybutyl acetate;hexanedioic acid.
Chemical Property Profile of Hexanedioic acid--butane-1,3-diyl diacetate (1/1)
Property Insights of Hexanedioic acid--butane-1,3-diyl diacetate (1/1)
The XLogP value of 1.6072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanedioic acid--butane-1,3-diyl diacetate (1/1). The TPSA of 127.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanedioic acid--butane-1,3-diyl diacetate (1/1). Following Lipinski's Rule of Five, Hexanedioic acid--butane-1,3-diyl diacetate (1/1) has 2 hydrogen bond donor(s) and 6 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 Hexanedioic acid--butane-1,3-diyl diacetate (1/1)?
The CAS number of Hexanedioic acid--butane-1,3-diyl diacetate (1/1) is 67989-20-2.
What is the molecular formula of Hexanedioic acid--butane-1,3-diyl diacetate (1/1)?
The molecular formula of Hexanedioic acid--butane-1,3-diyl diacetate (1/1) is C14H24O8.
What is the molecular weight of Hexanedioic acid--butane-1,3-diyl diacetate (1/1)?
The molecular weight of Hexanedioic acid--butane-1,3-diyl diacetate (1/1) is 320.15 g/mol.
Where can I buy Hexanedioic acid--butane-1,3-diyl diacetate (1/1)?
You can request a quote for Hexanedioic acid--butane-1,3-diyl diacetate (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid--butane-1,3-diyl diacetate (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid--butane-1,3-diyl diacetate (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.