1,4-Dihydro-2-methylbenzoic acid
TL;DR: 1,4-Dihydro-2-methylbenzoic acid (CAS 5636-54-4) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylcyclohexa-2,5-diene-1-carboxylic acid
Also Known As: 1,4-Dihydro-2-methylbenzoic acid, cobalttrihydroxide, 2-methylcyclohexa-2,5-diene-1-carboxylic acid, 2-Methylcyclohexa-2,5-dienecarboxylic acid, 2-methyl-l,4-dihydrobenzoic acid
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 5636-54-4 |
|---|---|
| SMILES | CC1=CCC=CC1C(=O)O |
| InChIKey | GYUSHSKDGRZQOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dihydro-2-methylbenzoic acid (CAS 5636-54-4), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: 2-methylcyclohexa-2,5-diene-1-carboxylic acid.
Chemical Property Profile of 1,4-Dihydro-2-methylbenzoic acid
Property Insights of 1,4-Dihydro-2-methylbenzoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dihydro-2-methylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 1,4-Dihydro-2-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dihydro-2-methylbenzoic 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 1,4-Dihydro-2-methylbenzoic acid?
The CAS number of 1,4-Dihydro-2-methylbenzoic acid is 5636-54-4.
What is the molecular formula of 1,4-Dihydro-2-methylbenzoic acid?
The molecular formula of 1,4-Dihydro-2-methylbenzoic acid is C8H10O2.
What is the molecular weight of 1,4-Dihydro-2-methylbenzoic acid?
The molecular weight of 1,4-Dihydro-2-methylbenzoic acid is 138.07 g/mol.
Where can I buy 1,4-Dihydro-2-methylbenzoic acid?
You can request a quote for 1,4-Dihydro-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 1,4-Dihydro-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydro-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.