5-Methoxy-2-methylbenzoic acid
TL;DR: 5-Methoxy-2-methylbenzoic acid (CAS 31936-85-3) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2-methylbenzoic acid
Also Known As: 5-methoxy-2-methylbenzoic acid, null, 5-Methoxy-2-methyl-benzoic acid, trans-2-Octenal, 5-Methoxy-2-methylbenzoicAcid
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 31936-85-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC)C(=O)O |
| InChIKey | OJDIEULKBFEZGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxy-2-methylbenzoic acid (CAS 31936-85-3), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 5-methoxy-2-methylbenzoic acid.
Chemical Property Profile of 5-Methoxy-2-methylbenzoic acid
Property Insights of 5-Methoxy-2-methylbenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-2-methylbenzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Methoxy-2-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxy-2-methylbenzoic 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 5-Methoxy-2-methylbenzoic acid?
The CAS number of 5-Methoxy-2-methylbenzoic acid is 31936-85-3.
What is the molecular formula of 5-Methoxy-2-methylbenzoic acid?
The molecular formula of 5-Methoxy-2-methylbenzoic acid is C9H10O3.
What is the molecular weight of 5-Methoxy-2-methylbenzoic acid?
The molecular weight of 5-Methoxy-2-methylbenzoic acid is 166.06 g/mol.
Where can I buy 5-Methoxy-2-methylbenzoic acid?
You can request a quote for 5-Methoxy-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.