Cyclopentanecarboxylic acid, 3-methylphenyl ester
TL;DR: Cyclopentanecarboxylic acid, 3-methylphenyl ester (CAS 55229-46-4) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) cyclopentanecarboxylate
Also Known As: Cyclopentanecarboxylic acid, 3-methylphenyl ester, (3-methylphenyl) cyclopentanecarboxylate, 3-methylphenyl cyclopentanecarboxylate, AN-652/42881954
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 55229-46-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)C2CCCC2 |
| InChIKey | LVDMYKFYZQJRAB-UHFFFAOYSA-N |
Product Overview
Cyclopentanecarboxylic acid, 3-methylphenyl ester (CAS 55229-46-4), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: (3-methylphenyl) cyclopentanecarboxylate.
Chemical Property Profile of Cyclopentanecarboxylic acid, 3-methylphenyl ester
Property Insights of Cyclopentanecarboxylic acid, 3-methylphenyl ester
The XLogP value of 3.6 indicates that Cyclopentanecarboxylic acid, 3-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclopentanecarboxylic acid, 3-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanecarboxylic acid, 3-methylphenyl 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 Cyclopentanecarboxylic acid, 3-methylphenyl ester?
The CAS number of Cyclopentanecarboxylic acid, 3-methylphenyl ester is 55229-46-4.
What is the molecular formula of Cyclopentanecarboxylic acid, 3-methylphenyl ester?
The molecular formula of Cyclopentanecarboxylic acid, 3-methylphenyl ester is C13H16O2.
What is the molecular weight of Cyclopentanecarboxylic acid, 3-methylphenyl ester?
The molecular weight of Cyclopentanecarboxylic acid, 3-methylphenyl ester is 204.12 g/mol.
Where can I buy Cyclopentanecarboxylic acid, 3-methylphenyl ester?
You can request a quote for Cyclopentanecarboxylic acid, 3-methylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentanecarboxylic acid, 3-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanecarboxylic acid, 3-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.