Monomethyl sebacate
TL;DR: Monomethyl sebacate (CAS 818-88-2) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methoxy-10-oxodecanoic acid
Also Known As: Monomethyl Sebacate, Sebacic acid monomethyl ester, 10-Methoxy-10-oxodecanoic acid, Methyl hydrogen sebacate, Mono-methyl sebacate
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 818-88-2 |
|---|---|
| SMILES | COC(=O)CCCCCCCCC(=O)O |
| InChIKey | OSYQOBUUFRGFNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monomethyl sebacate (CAS 818-88-2), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: 10-methoxy-10-oxodecanoic acid.
Chemical Property Profile of Monomethyl sebacate
Property Insights of Monomethyl sebacate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monomethyl sebacate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Monomethyl sebacate. Following Lipinski's Rule of Five, Monomethyl sebacate has 1 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 Monomethyl sebacate?
The CAS number of Monomethyl sebacate is 818-88-2.
What is the molecular formula of Monomethyl sebacate?
The molecular formula of Monomethyl sebacate is C11H20O4.
What is the molecular weight of Monomethyl sebacate?
The molecular weight of Monomethyl sebacate is 216.14 g/mol.
Where can I buy Monomethyl sebacate?
You can request a quote for Monomethyl sebacate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monomethyl sebacate?
Yes, KEHONG BIO provides custom synthesis services for Monomethyl sebacate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.