Benzyl cyclopentanecarboxylate
TL;DR: Benzyl cyclopentanecarboxylate (CAS 78277-22-2) 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.
benzyl cyclopentanecarboxylate
Also Known As: Benzyl cyclopentanecarboxylate, Phenylmethyl cyclopentanecarboxylate, cyclopentanecarboxylic acid benzyl ester, Benzyl cyclopentanecarboxylate #, Cyclopentanecarboxylic acid, benzyl ester
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 78277-22-2 |
|---|---|
| SMILES | C1CCC(C1)C(=O)OCC2=CC=CC=C2 |
| InChIKey | DNBHXBWIWOADBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl cyclopentanecarboxylate (CAS 78277-22-2), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: benzyl cyclopentanecarboxylate.
Chemical Property Profile of Benzyl cyclopentanecarboxylate
Property Insights of Benzyl cyclopentanecarboxylate
The XLogP value of 3.1 indicates that Benzyl cyclopentanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl cyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl cyclopentanecarboxylate?
The CAS number of Benzyl cyclopentanecarboxylate is 78277-22-2.
What is the molecular formula of Benzyl cyclopentanecarboxylate?
The molecular formula of Benzyl cyclopentanecarboxylate is C13H16O2.
What is the molecular weight of Benzyl cyclopentanecarboxylate?
The molecular weight of Benzyl cyclopentanecarboxylate is 204.12 g/mol.
Where can I buy Benzyl cyclopentanecarboxylate?
You can request a quote for Benzyl cyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl cyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl cyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.