1,6-Bis(4-hydroxybutyl) hexanedioate
TL;DR: 1,6-Bis(4-hydroxybutyl) hexanedioate (CAS 20985-13-1) is a chemical compound with molecular formula C14H26O6 and molecular weight 290.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-hydroxybutyl) hexanedioate
Also Known As: Bis(4-hydroxybutyl) adipate, bis(4-hydroxybutyl) hexanedioate, Bis-(4-hydroxybutyl)adipate, bis(4-hydroxybutyl)adipate, 1,6-BIS(4-HYDROXYBUTYL) HEXANEDIOATE
| Molecular Formula | C14H26O6 |
|---|---|
| Molecular Weight | 290.17 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 290.17294 |
| Heavy Atoms | 20 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 20985-13-1 |
|---|---|
| SMILES | C(CCC(=O)OCCCCO)CC(=O)OCCCCO |
| InChIKey | MIPAMDMBINCYQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-Bis(4-hydroxybutyl) hexanedioate (CAS 20985-13-1), with molecular formula C14H26O6 and molecular weight 290.17 g/mol. IUPAC: bis(4-hydroxybutyl) hexanedioate.
Chemical Property Profile of 1,6-Bis(4-hydroxybutyl) hexanedioate
Property Insights of 1,6-Bis(4-hydroxybutyl) hexanedioate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Bis(4-hydroxybutyl) hexanedioate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Bis(4-hydroxybutyl) hexanedioate. Following Lipinski's Rule of Five, 1,6-Bis(4-hydroxybutyl) hexanedioate 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 1,6-Bis(4-hydroxybutyl) hexanedioate?
The CAS number of 1,6-Bis(4-hydroxybutyl) hexanedioate is 20985-13-1.
What is the molecular formula of 1,6-Bis(4-hydroxybutyl) hexanedioate?
The molecular formula of 1,6-Bis(4-hydroxybutyl) hexanedioate is C14H26O6.
What is the molecular weight of 1,6-Bis(4-hydroxybutyl) hexanedioate?
The molecular weight of 1,6-Bis(4-hydroxybutyl) hexanedioate is 290.17 g/mol.
Where can I buy 1,6-Bis(4-hydroxybutyl) hexanedioate?
You can request a quote for 1,6-Bis(4-hydroxybutyl) hexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Bis(4-hydroxybutyl) hexanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Bis(4-hydroxybutyl) hexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.