2-Propionylbenzoic acid
TL;DR: 2-Propionylbenzoic acid (CAS 2360-45-4) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propanoylbenzoic acid
Also Known As: 2-Propionylbenzoic acid, 2-propanoylbenzoic acid, 2-(1-Oxopropyl)benzoic acid, Benzoic acid, 2-(1-oxopropyl)-, 2-Propionylbenzoesaure
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 2360-45-4 |
|---|---|
| SMILES | CCC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | JYBOOAWVGOYQFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propionylbenzoic acid (CAS 2360-45-4), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 2-propanoylbenzoic acid.
Chemical Property Profile of 2-Propionylbenzoic acid
Property Insights of 2-Propionylbenzoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propionylbenzoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Propionylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propionylbenzoic acid has 1 hydrogen bond donor(s) and 3 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-Propionylbenzoic acid?
The CAS number of 2-Propionylbenzoic acid is 2360-45-4.
What is the molecular formula of 2-Propionylbenzoic acid?
The molecular formula of 2-Propionylbenzoic acid is C10H10O3.
What is the molecular weight of 2-Propionylbenzoic acid?
The molecular weight of 2-Propionylbenzoic acid is 178.06 g/mol.
Where can I buy 2-Propionylbenzoic acid?
You can request a quote for 2-Propionylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propionylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Propionylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.