Octanedioic acid, 2-ethyl-, dimethyl ester
TL;DR: Octanedioic acid, 2-ethyl-, dimethyl ester (CAS 55191-19-0) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-ethyloctanedioate
Also Known As: Dimethyl-2-ethylsuberate, Dimethyl 2-ethyloctanedioate, Dimethyl 2-ethyloctanedioate #, 1,8-dimethyl 2-ethyloctanedioate, Octanedioic acid, 2-ethyl-, dimethyl ester
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 55191-19-0 |
|---|---|
| SMILES | CCC(CCCCCC(=O)OC)C(=O)OC |
| InChIKey | CWQKDKHZVKZZKC-UHFFFAOYSA-N |
Product Overview
Octanedioic acid, 2-ethyl-, dimethyl ester (CAS 55191-19-0), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: dimethyl 2-ethyloctanedioate.
Chemical Property Profile of Octanedioic acid, 2-ethyl-, dimethyl ester
Property Insights of Octanedioic acid, 2-ethyl-, dimethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanedioic acid, 2-ethyl-, dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Octanedioic acid, 2-ethyl-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanedioic acid, 2-ethyl-, dimethyl ester has 0 hydrogen bond donor(s) and 4 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 Octanedioic acid, 2-ethyl-, dimethyl ester?
The CAS number of Octanedioic acid, 2-ethyl-, dimethyl ester is 55191-19-0.
What is the molecular formula of Octanedioic acid, 2-ethyl-, dimethyl ester?
The molecular formula of Octanedioic acid, 2-ethyl-, dimethyl ester is C12H22O4.
What is the molecular weight of Octanedioic acid, 2-ethyl-, dimethyl ester?
The molecular weight of Octanedioic acid, 2-ethyl-, dimethyl ester is 230.15 g/mol.
Where can I buy Octanedioic acid, 2-ethyl-, dimethyl ester?
You can request a quote for Octanedioic acid, 2-ethyl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanedioic acid, 2-ethyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanedioic acid, 2-ethyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.