Tridecanedioic acid, 2-hexyl-, dimethyl ester
TL;DR: Tridecanedioic acid, 2-hexyl-, dimethyl ester (CAS 25751-93-3) is a chemical compound with molecular formula C21H40O4 and molecular weight 356.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-hexyltridecanedioate
Also Known As: Dimethyl 2-hexyltridecanedioate, 2-Hexyltridecanedioicaciddimethylester, Dimethyl 2-hexyltridecanedioate #, 1,13-dimethyl 2-hexyltridecanedioate, 2-Hexyltridecanedioic acid dimethyl ester
| Molecular Formula | C21H40O4 |
|---|---|
| Molecular Weight | 356.29 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 356.29266 |
| Heavy Atoms | 25 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 25751-93-3 |
|---|---|
| SMILES | CCCCCCC(CCCCCCCCCCC(=O)OC)C(=O)OC |
| InChIKey | AKCDUQGSIKCXRL-UHFFFAOYSA-N |
Product Overview
Tridecanedioic acid, 2-hexyl-, dimethyl ester (CAS 25751-93-3), with molecular formula C21H40O4 and molecular weight 356.29 g/mol. IUPAC: dimethyl 2-hexyltridecanedioate.
Chemical Property Profile of Tridecanedioic acid, 2-hexyl-, dimethyl ester
Property Insights of Tridecanedioic acid, 2-hexyl-, dimethyl ester
The XLogP value of 7.5 indicates that Tridecanedioic acid, 2-hexyl-, dimethyl 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, Tridecanedioic acid, 2-hexyl-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tridecanedioic acid, 2-hexyl-, dimethyl 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 Tridecanedioic acid, 2-hexyl-, dimethyl ester?
The CAS number of Tridecanedioic acid, 2-hexyl-, dimethyl ester is 25751-93-3.
What is the molecular formula of Tridecanedioic acid, 2-hexyl-, dimethyl ester?
The molecular formula of Tridecanedioic acid, 2-hexyl-, dimethyl ester is C21H40O4.
What is the molecular weight of Tridecanedioic acid, 2-hexyl-, dimethyl ester?
The molecular weight of Tridecanedioic acid, 2-hexyl-, dimethyl ester is 356.29 g/mol.
Where can I buy Tridecanedioic acid, 2-hexyl-, dimethyl ester?
You can request a quote for Tridecanedioic acid, 2-hexyl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tridecanedioic acid, 2-hexyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Tridecanedioic acid, 2-hexyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.