Methyl cyclopentanecarboxylate
TL;DR: Methyl cyclopentanecarboxylate (CAS 4630-80-2) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl cyclopentanecarboxylate
Also Known As: Methyl cyclopentanecarboxylate, Cyclopentanecarboxylic acid, methyl ester, methyl cyclopentanoate, Cyclopentanoic acid methyl ester, cyclopentanecarboxylic acid methyl ester
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 4630-80-2 |
|---|---|
| SMILES | COC(=O)C1CCCC1 |
| InChIKey | IIHIJFJSXPDTNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl cyclopentanecarboxylate (CAS 4630-80-2), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: methyl cyclopentanecarboxylate.
Chemical Property Profile of Methyl cyclopentanecarboxylate
Property Insights of Methyl cyclopentanecarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl cyclopentanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl cyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl cyclopentanecarboxylate 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 Methyl cyclopentanecarboxylate?
The CAS number of Methyl cyclopentanecarboxylate is 4630-80-2.
What is the molecular formula of Methyl cyclopentanecarboxylate?
The molecular formula of Methyl cyclopentanecarboxylate is C7H12O2.
What is the molecular weight of Methyl cyclopentanecarboxylate?
The molecular weight of Methyl cyclopentanecarboxylate is 128.08 g/mol.
Where can I buy Methyl cyclopentanecarboxylate?
You can request a quote for Methyl cyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl cyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl cyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.