Benzoic acid, 2-hydroxy-3,4-dimethyl-
TL;DR: Benzoic acid, 2-hydroxy-3,4-dimethyl- (CAS 64317-83-5) 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.
2-hydroxy-3,4-dimethylbenzoic acid
Also Known As: 2-Hydroxy-3,4-dimethylbenzoic acid, Dimethylsalicylsaure, 3,4-Dimethyl-2-hydroxybenzoic acid, 2-HYDROXY-3,4-DIMETHYL-BENZOIC ACID, 3,4-Dimethylsalicylsaeure
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 64317-83-5 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(=O)O)O)C |
| InChIKey | YSJWNEDBIWZWOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-hydroxy-3,4-dimethyl- (CAS 64317-83-5), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 2-hydroxy-3,4-dimethylbenzoic acid.
Chemical Property Profile of Benzoic acid, 2-hydroxy-3,4-dimethyl-
Property Insights of Benzoic acid, 2-hydroxy-3,4-dimethyl-
The XLogP value of 3.2 indicates that Benzoic acid, 2-hydroxy-3,4-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Benzoic acid, 2-hydroxy-3,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-hydroxy-3,4-dimethyl- has 2 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 Benzoic acid, 2-hydroxy-3,4-dimethyl-?
The CAS number of Benzoic acid, 2-hydroxy-3,4-dimethyl- is 64317-83-5.
What is the molecular formula of Benzoic acid, 2-hydroxy-3,4-dimethyl-?
The molecular formula of Benzoic acid, 2-hydroxy-3,4-dimethyl- is C9H10O3.
What is the molecular weight of Benzoic acid, 2-hydroxy-3,4-dimethyl-?
The molecular weight of Benzoic acid, 2-hydroxy-3,4-dimethyl- is 166.06 g/mol.
Where can I buy Benzoic acid, 2-hydroxy-3,4-dimethyl-?
You can request a quote for Benzoic acid, 2-hydroxy-3,4-dimethyl- 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-hydroxy-3,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-hydroxy-3,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.