Cyclobutanecarboxylic acid methyl ester
TL;DR: Cyclobutanecarboxylic acid methyl ester (CAS 765-85-5) is a chemical compound with molecular formula COC(=O)C1CCC1 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl cyclobutanecarboxylate
Also Known As: methyl cyclobutanecarboxylate, pentoxifylline, Cyclobutanecarboxylic acid methyl ester, methylcyclobutanecarboxylate, ?Methyl cyclobutanecarboxylate
| Molecular Formula | COC(=O)C1CCC1 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 94.0 |
Chemical Identifiers
| CAS Number | 765-85-5 |
|---|---|
| SMILES | COC(=O)C1CCC1 |
| InChIKey | CBTGNLZUIZHUHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclobutanecarboxylic acid methyl ester (CAS 765-85-5), with molecular formula COC(=O)C1CCC1 and molecular weight 114.07 g/mol. IUPAC: methyl cyclobutanecarboxylate.
Chemical Property Profile of Cyclobutanecarboxylic acid methyl ester
Property Insights of Cyclobutanecarboxylic acid methyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclobutanecarboxylic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclobutanecarboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclobutanecarboxylic acid methyl ester has 0 hydrogen bond donor(s) and 2 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 Cyclobutanecarboxylic acid methyl ester?
The CAS number of Cyclobutanecarboxylic acid methyl ester is 765-85-5.
What is the molecular formula of Cyclobutanecarboxylic acid methyl ester?
The molecular formula of Cyclobutanecarboxylic acid methyl ester is COC(=O)C1CCC1.
What is the molecular weight of Cyclobutanecarboxylic acid methyl ester?
The molecular weight of Cyclobutanecarboxylic acid methyl ester is 114.07 g/mol.
Where can I buy Cyclobutanecarboxylic acid methyl ester?
You can request a quote for Cyclobutanecarboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclobutanecarboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclobutanecarboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.