Hexanedioic acid, 1,6-diheptyl ester
TL;DR: Hexanedioic acid, 1,6-diheptyl ester (CAS 14697-48-4) is a chemical compound with molecular formula C20H38O4 and molecular weight 342.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diheptyl hexanedioate
Also Known As: Diheptyl adipate, diheptyl hexanedioate, Hexanedioic acid, diheptyl ester, Adipic acid, diheptyl ester, Adipic acid diheptyl ester
| Molecular Formula | C20H38O4 |
|---|---|
| Molecular Weight | 342.28 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 342.277 |
| Heavy Atoms | 24 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 14697-48-4 |
|---|---|
| SMILES | CCCCCCCOC(=O)CCCCC(=O)OCCCCCCC |
| InChIKey | SITULKFUBJXOJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanedioic acid, 1,6-diheptyl ester (CAS 14697-48-4), with molecular formula C20H38O4 and molecular weight 342.28 g/mol. IUPAC: diheptyl hexanedioate.
Chemical Property Profile of Hexanedioic acid, 1,6-diheptyl ester
Property Insights of Hexanedioic acid, 1,6-diheptyl ester
The XLogP value of 6.3 indicates that Hexanedioic acid, 1,6-diheptyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Hexanedioic acid, 1,6-diheptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanedioic acid, 1,6-diheptyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanedioic acid, 1,6-diheptyl ester?
The CAS number of Hexanedioic acid, 1,6-diheptyl ester is 14697-48-4.
What is the molecular formula of Hexanedioic acid, 1,6-diheptyl ester?
The molecular formula of Hexanedioic acid, 1,6-diheptyl ester is C20H38O4.
What is the molecular weight of Hexanedioic acid, 1,6-diheptyl ester?
The molecular weight of Hexanedioic acid, 1,6-diheptyl ester is 342.28 g/mol.
Where can I buy Hexanedioic acid, 1,6-diheptyl ester?
You can request a quote for Hexanedioic acid, 1,6-diheptyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, 1,6-diheptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, 1,6-diheptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.