Benzoic acid, 2,4,6-trihydroxy-3-methyl-
TL;DR: Benzoic acid, 2,4,6-trihydroxy-3-methyl- (CAS 95124-62-2) is a chemical compound with molecular formula C8H8O5 and molecular weight 184.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trihydroxy-3-methylbenzoic acid
Also Known As: Methylphloroglucincarbonsaure, 2,4,6-trihydroxy-3-methylbenzoic acid, Benzoic acid, 2,4,6-trihydroxy-3-methyl-, m-Toluic acid, 2,4,6-trihydroxy-, 2,4,6-trihydroxy-3-methylbenzoicacid
| Molecular Formula | C8H8O5 |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.03717 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 95124-62-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1O)O)C(=O)O)O |
| InChIKey | KUZMGSVKYDYRHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2,4,6-trihydroxy-3-methyl- (CAS 95124-62-2), with molecular formula C8H8O5 and molecular weight 184.04 g/mol. IUPAC: 2,4,6-trihydroxy-3-methylbenzoic acid.
Chemical Property Profile of Benzoic acid, 2,4,6-trihydroxy-3-methyl-
Property Insights of Benzoic acid, 2,4,6-trihydroxy-3-methyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2,4,6-trihydroxy-3-methyl-. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,4,6-trihydroxy-3-methyl-. Following Lipinski's Rule of Five, Benzoic acid, 2,4,6-trihydroxy-3-methyl- has 4 hydrogen bond donor(s) and 5 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 Benzoic acid, 2,4,6-trihydroxy-3-methyl-?
The CAS number of Benzoic acid, 2,4,6-trihydroxy-3-methyl- is 95124-62-2.
What is the molecular formula of Benzoic acid, 2,4,6-trihydroxy-3-methyl-?
The molecular formula of Benzoic acid, 2,4,6-trihydroxy-3-methyl- is C8H8O5.
What is the molecular weight of Benzoic acid, 2,4,6-trihydroxy-3-methyl-?
The molecular weight of Benzoic acid, 2,4,6-trihydroxy-3-methyl- is 184.04 g/mol.
Where can I buy Benzoic acid, 2,4,6-trihydroxy-3-methyl-?
You can request a quote for Benzoic acid, 2,4,6-trihydroxy-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,4,6-trihydroxy-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,4,6-trihydroxy-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.