Hexanedioic acid, ester with 1,4-butanediol
TL;DR: Hexanedioic acid, ester with 1,4-butanediol (CAS 86923-79-7) is a chemical compound with molecular formula C10H18O5 and molecular weight 218.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-hydroxybutoxy)-6-oxohexanoic acid
Also Known As: starbld0009255, Adipic Acid Impurity 6, 1,4-Butanediol, hexanedioate, 6-(4-hydroxybutoxy)-6-oxohexanoic acid, Hexanedioic Acid Mono(4-hydroxybutyl) Ester
| Molecular Formula | C10H18O5 |
|---|---|
| Molecular Weight | 218.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 218.11542 |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 86923-79-7 |
|---|---|
| SMILES | C(CCC(=O)OCCCCO)CC(=O)O |
| InChIKey | ZSYUYBMMNNGZIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanedioic acid, ester with 1,4-butanediol (CAS 86923-79-7), with molecular formula C10H18O5 and molecular weight 218.12 g/mol. IUPAC: 6-(4-hydroxybutoxy)-6-oxohexanoic acid.
Chemical Property Profile of Hexanedioic acid, ester with 1,4-butanediol
Property Insights of Hexanedioic acid, ester with 1,4-butanediol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanedioic acid, ester with 1,4-butanediol. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanedioic acid, ester with 1,4-butanediol. Following Lipinski's Rule of Five, Hexanedioic acid, ester with 1,4-butanediol has 2 hydrogen bond donor(s) and 5 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, ester with 1,4-butanediol?
The CAS number of Hexanedioic acid, ester with 1,4-butanediol is 86923-79-7.
What is the molecular formula of Hexanedioic acid, ester with 1,4-butanediol?
The molecular formula of Hexanedioic acid, ester with 1,4-butanediol is C10H18O5.
What is the molecular weight of Hexanedioic acid, ester with 1,4-butanediol?
The molecular weight of Hexanedioic acid, ester with 1,4-butanediol is 218.12 g/mol.
Where can I buy Hexanedioic acid, ester with 1,4-butanediol?
You can request a quote for Hexanedioic acid, ester with 1,4-butanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, ester with 1,4-butanediol?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, ester with 1,4-butanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.