Cyclopentyl 3-methylbenzoate
TL;DR: Cyclopentyl 3-methylbenzoate (CAS 767-54-4) 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.
cyclopentyl 3-methylbenzoate
Also Known As: Cyclopentyl 3-methylbenzoate, m-Toluic acid, cyclopentyl ester, Cyclopentyl 3-methylbenzoate #, m-Toluic acid,cyclopentyl ester, Benzoic acid,3-methyl-, cyclopentyl ester
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 4.0 |
| 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 | 767-54-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2CCCC2 |
| InChIKey | ZUECAGOCYJBSDX-UHFFFAOYSA-N |
Product Overview
Cyclopentyl 3-methylbenzoate (CAS 767-54-4), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: cyclopentyl 3-methylbenzoate.
Chemical Property Profile of Cyclopentyl 3-methylbenzoate
Property Insights of Cyclopentyl 3-methylbenzoate
The XLogP value of 4.0 indicates that Cyclopentyl 3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclopentyl 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentyl 3-methylbenzoate 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 Cyclopentyl 3-methylbenzoate?
The CAS number of Cyclopentyl 3-methylbenzoate is 767-54-4.
What is the molecular formula of Cyclopentyl 3-methylbenzoate?
The molecular formula of Cyclopentyl 3-methylbenzoate is C13H16O2.
What is the molecular weight of Cyclopentyl 3-methylbenzoate?
The molecular weight of Cyclopentyl 3-methylbenzoate is 204.12 g/mol.
Where can I buy Cyclopentyl 3-methylbenzoate?
You can request a quote for Cyclopentyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.