3-Cyclopropylbenzoic acid
TL;DR: 3-Cyclopropylbenzoic acid (CAS 1132-41-8) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclopropylbenzoic acid
Also Known As: 3-Cyclopropylbenzoic acid, 3-Cyclopropyl benzoic acid, null, 3-CyclopropylbenzoicAcid, Benzoic acid, 3-cyclopropyl-
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 1132-41-8 |
|---|---|
| SMILES | C1CC1C2=CC(=CC=C2)C(=O)O |
| InChIKey | RQRAQQYDNSRVRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclopropylbenzoic acid (CAS 1132-41-8), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 3-cyclopropylbenzoic acid.
Chemical Property Profile of 3-Cyclopropylbenzoic acid
Property Insights of 3-Cyclopropylbenzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclopropylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Cyclopropylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclopropylbenzoic acid has 1 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 3-Cyclopropylbenzoic acid?
The CAS number of 3-Cyclopropylbenzoic acid is 1132-41-8.
What is the molecular formula of 3-Cyclopropylbenzoic acid?
The molecular formula of 3-Cyclopropylbenzoic acid is C10H10O2.
What is the molecular weight of 3-Cyclopropylbenzoic acid?
The molecular weight of 3-Cyclopropylbenzoic acid is 162.07 g/mol.
Where can I buy 3-Cyclopropylbenzoic acid?
You can request a quote for 3-Cyclopropylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclopropylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclopropylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.