Hexanedioic acid, 2-tridecyl-, dimethyl ester
TL;DR: Hexanedioic acid, 2-tridecyl-, dimethyl ester (CAS 41240-31-7) 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-tridecylhexanedioate
Also Known As: Dimethyl 2-tridecylhexanedioate, 2-Tridecylhexanedioicaciddimethylester, Dimethyl 2-tridecylhexanedioate #, 1,6-dimethyl 2-tridecylhexanedioate, 2-Tridecylhexanedioic 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 | 41240-31-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(CCCC(=O)OC)C(=O)OC |
| InChIKey | JQFDANWHNAFHTR-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, 2-tridecyl-, dimethyl ester (CAS 41240-31-7), with molecular formula C21H40O4 and molecular weight 356.29 g/mol. IUPAC: dimethyl 2-tridecylhexanedioate.
Chemical Property Profile of Hexanedioic acid, 2-tridecyl-, dimethyl ester
Property Insights of Hexanedioic acid, 2-tridecyl-, dimethyl ester
The XLogP value of 7.5 indicates that Hexanedioic acid, 2-tridecyl-, 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, Hexanedioic acid, 2-tridecyl-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanedioic acid, 2-tridecyl-, 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 Hexanedioic acid, 2-tridecyl-, dimethyl ester?
The CAS number of Hexanedioic acid, 2-tridecyl-, dimethyl ester is 41240-31-7.
What is the molecular formula of Hexanedioic acid, 2-tridecyl-, dimethyl ester?
The molecular formula of Hexanedioic acid, 2-tridecyl-, dimethyl ester is C21H40O4.
What is the molecular weight of Hexanedioic acid, 2-tridecyl-, dimethyl ester?
The molecular weight of Hexanedioic acid, 2-tridecyl-, dimethyl ester is 356.29 g/mol.
Where can I buy Hexanedioic acid, 2-tridecyl-, dimethyl ester?
You can request a quote for Hexanedioic acid, 2-tridecyl-, dimethyl 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, 2-tridecyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, 2-tridecyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.