Methyl cycloheptanecarboxylate
TL;DR: Methyl cycloheptanecarboxylate (CAS 60433-00-3) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl cycloheptanecarboxylate
Also Known As: Methyl cycloheptanecarboxylate, Cycloheptanecarboxylic acid methyl ester, Methylcycloheptanecarboxylate, Methyl cycloheptanecarboxylate #, Cycloheptanecarboxylic acid, methyl ester
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 60433-00-3 |
|---|---|
| SMILES | COC(=O)C1CCCCCC1 |
| InChIKey | OEPSYCOSYPDSFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl cycloheptanecarboxylate (CAS 60433-00-3), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: methyl cycloheptanecarboxylate.
Chemical Property Profile of Methyl cycloheptanecarboxylate
Property Insights of Methyl cycloheptanecarboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl cycloheptanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl cycloheptanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl cycloheptanecarboxylate 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 cycloheptanecarboxylate?
The CAS number of Methyl cycloheptanecarboxylate is 60433-00-3.
What is the molecular formula of Methyl cycloheptanecarboxylate?
The molecular formula of Methyl cycloheptanecarboxylate is C9H16O2.
What is the molecular weight of Methyl cycloheptanecarboxylate?
The molecular weight of Methyl cycloheptanecarboxylate is 156.12 g/mol.
Where can I buy Methyl cycloheptanecarboxylate?
You can request a quote for Methyl cycloheptanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl cycloheptanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl cycloheptanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.