2-Propoxybenzoic Acid
TL;DR: 2-Propoxybenzoic Acid (CAS 21106-18-3) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propoxybenzoic acid
Also Known As: 2-Propoxybenzoic acid, 2-n-propoxybenzoic acid, O-propoxybenzoic acid, null, 2-Propoxy benzoic acid
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 21106-18-3 |
|---|---|
| SMILES | CCCOC1=CC=CC=C1C(=O)O |
| InChIKey | OXOWWPXTTOCKKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propoxybenzoic Acid (CAS 21106-18-3), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 2-propoxybenzoic acid.
Chemical Property Profile of 2-Propoxybenzoic Acid
Property Insights of 2-Propoxybenzoic Acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propoxybenzoic Acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Propoxybenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propoxybenzoic 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-Propoxybenzoic Acid?
The CAS number of 2-Propoxybenzoic Acid is 21106-18-3.
What is the molecular formula of 2-Propoxybenzoic Acid?
The molecular formula of 2-Propoxybenzoic Acid is C10H12O3.
What is the molecular weight of 2-Propoxybenzoic Acid?
The molecular weight of 2-Propoxybenzoic Acid is 180.08 g/mol.
Where can I buy 2-Propoxybenzoic Acid?
You can request a quote for 2-Propoxybenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propoxybenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Propoxybenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.