Hexadecanedioic acid, 3-methyl-, dimethyl ester
TL;DR: Hexadecanedioic acid, 3-methyl-, dimethyl ester (CAS 55334-52-6) is a chemical compound with molecular formula C19H36O4 and molecular weight 328.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methylhexadecanedioate
Also Known As: Dimethyl 3-methylhexadecanedioate, Dimethyl 3-methylhexadecanedioate #, 3-Methylhexadecanedioic acid dimethyl ester, 1,16-dimethyl 3-methylhexadecanedioate, Hexadecanedioic acid, 3-methyl-, dimethyl ester
| Molecular Formula | C19H36O4 |
|---|---|
| Molecular Weight | 328.26 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 328.26135 |
| Heavy Atoms | 23 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 55334-52-6 |
|---|---|
| SMILES | CC(CCCCCCCCCCCCC(=O)OC)CC(=O)OC |
| InChIKey | ZQHYRIPZULFTKZ-UHFFFAOYSA-N |
Product Overview
Hexadecanedioic acid, 3-methyl-, dimethyl ester (CAS 55334-52-6), with molecular formula C19H36O4 and molecular weight 328.26 g/mol. IUPAC: dimethyl 3-methylhexadecanedioate.
Chemical Property Profile of Hexadecanedioic acid, 3-methyl-, dimethyl ester
Property Insights of Hexadecanedioic acid, 3-methyl-, dimethyl ester
The XLogP value of 6.4 indicates that Hexadecanedioic acid, 3-methyl-, 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, Hexadecanedioic acid, 3-methyl-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecanedioic acid, 3-methyl-, 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 Hexadecanedioic acid, 3-methyl-, dimethyl ester?
The CAS number of Hexadecanedioic acid, 3-methyl-, dimethyl ester is 55334-52-6.
What is the molecular formula of Hexadecanedioic acid, 3-methyl-, dimethyl ester?
The molecular formula of Hexadecanedioic acid, 3-methyl-, dimethyl ester is C19H36O4.
What is the molecular weight of Hexadecanedioic acid, 3-methyl-, dimethyl ester?
The molecular weight of Hexadecanedioic acid, 3-methyl-, dimethyl ester is 328.26 g/mol.
Where can I buy Hexadecanedioic acid, 3-methyl-, dimethyl ester?
You can request a quote for Hexadecanedioic acid, 3-methyl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecanedioic acid, 3-methyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexadecanedioic acid, 3-methyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.