Octanedioic acid, monomethyl ester
TL;DR: Octanedioic acid, monomethyl ester (CAS 3946-32-5) is a chemical compound with molecular formula C9H15O4- and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-8-oxooctanoate
Also Known As: Monomethyl Suberate, Octanedioic acid, monomethyl ester, Suberic acid monomethyl ester
| Molecular Formula | C9H15O4- |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 0.2499 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 187.09703 |
| Heavy Atoms | 13 |
| Complexity | 164.99763 |
Chemical Identifiers
| CAS Number | 3946-32-5 |
|---|---|
| SMILES | COC(=O)CCCCCCC(=O)[O-] |
Product Overview
Octanedioic acid, monomethyl ester (CAS 3946-32-5), with molecular formula C9H15O4- and molecular weight 187.10 g/mol. IUPAC: 8-methoxy-8-oxooctanoate.
Chemical Property Profile of Octanedioic acid, monomethyl ester
Property Insights of Octanedioic acid, monomethyl ester
The XLogP value of 0.2499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanedioic acid, monomethyl ester. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanedioic acid, monomethyl ester. Following Lipinski's Rule of Five, Octanedioic acid, monomethyl 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, monomethyl ester?
The CAS number of Octanedioic acid, monomethyl ester is 3946-32-5.
What is the molecular formula of Octanedioic acid, monomethyl ester?
The molecular formula of Octanedioic acid, monomethyl ester is C9H15O4-.
What is the molecular weight of Octanedioic acid, monomethyl ester?
The molecular weight of Octanedioic acid, monomethyl ester is 187.10 g/mol.
Where can I buy Octanedioic acid, monomethyl ester?
You can request a quote for Octanedioic acid, monomethyl 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, monomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanedioic acid, monomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.