2-Cyclopenten-1-yl benzoate
TL;DR: 2-Cyclopenten-1-yl benzoate (CAS 29555-16-6) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopent-2-en-1-yl benzoate
Also Known As: 2-Cyclopenten-1-yl benzoate, cyclopent-2-en-1-yl benzoate, 3-Benzoyloxycyclopentene, 2-Cyclopentenyl benzoate, 2-Cyclopenten-1-ol, benzoate
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 29555-16-6 |
|---|---|
| SMILES | C1CC(C=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | BTLKCQKGDWHFJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyclopenten-1-yl benzoate (CAS 29555-16-6), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: cyclopent-2-en-1-yl benzoate.
Chemical Property Profile of 2-Cyclopenten-1-yl benzoate
Property Insights of 2-Cyclopenten-1-yl benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclopenten-1-yl benzoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Cyclopenten-1-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclopenten-1-yl benzoate 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 2-Cyclopenten-1-yl benzoate?
The CAS number of 2-Cyclopenten-1-yl benzoate is 29555-16-6.
What is the molecular formula of 2-Cyclopenten-1-yl benzoate?
The molecular formula of 2-Cyclopenten-1-yl benzoate is C12H12O2.
What is the molecular weight of 2-Cyclopenten-1-yl benzoate?
The molecular weight of 2-Cyclopenten-1-yl benzoate is 188.08 g/mol.
Where can I buy 2-Cyclopenten-1-yl benzoate?
You can request a quote for 2-Cyclopenten-1-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclopenten-1-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclopenten-1-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.