Octanedioic acid, ethyl-, 1,8-dimethyl ester
TL;DR: Octanedioic acid, ethyl-, 1,8-dimethyl ester (CAS 72779-07-8) 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 (4S)-4-ethyloctanedioate
Also Known As: Ethyloctanedioic acid, dimethyl ester, Octanedioic acid, ethyl-, dimethyl ester, dimethyl (4S)-4-ethyloctanedioate, Octanedioic acid, ethyl-, 1,8-dimethyl ester, RefChem:167786
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.3091 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 213.0643 |
Chemical Identifiers
| CAS Number | 72779-07-8 |
|---|---|
| SMILES | CC[C@@H](CCCC(=O)OC)CCC(=O)OC |
Product Overview
Octanedioic acid, ethyl-, 1,8-dimethyl ester (CAS 72779-07-8), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: dimethyl (4S)-4-ethyloctanedioate.
Chemical Property Profile of Octanedioic acid, ethyl-, 1,8-dimethyl ester
Property Insights of Octanedioic acid, ethyl-, 1,8-dimethyl ester
The XLogP value of 2.3091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanedioic acid, ethyl-, 1,8-dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Octanedioic acid, ethyl-, 1,8-dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanedioic acid, ethyl-, 1,8-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, ethyl-, 1,8-dimethyl ester?
The CAS number of Octanedioic acid, ethyl-, 1,8-dimethyl ester is 72779-07-8.
What is the molecular formula of Octanedioic acid, ethyl-, 1,8-dimethyl ester?
The molecular formula of Octanedioic acid, ethyl-, 1,8-dimethyl ester is C12H22O4.
What is the molecular weight of Octanedioic acid, ethyl-, 1,8-dimethyl ester?
The molecular weight of Octanedioic acid, ethyl-, 1,8-dimethyl ester is 230.15 g/mol.
Where can I buy Octanedioic acid, ethyl-, 1,8-dimethyl ester?
You can request a quote for Octanedioic acid, ethyl-, 1,8-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, ethyl-, 1,8-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanedioic acid, ethyl-, 1,8-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.