4,5-二甲基-2-羟基苯甲酸
TL;DR: 4,5-二甲基-2-羟基苯甲酸 (CAS 58138-52-6) 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.
4,5-二甲基-2-羟基苯甲酸
2-hydroxy-4,5-dimethylbenzoic acid
Also Known As: 2-hydroxy-4,5-dimethylbenzoic acid, 4,5-Dimethylsalicylic acid, NCIOpen2_001472, 2-hydroxy-4,5-dimethylbenzoicacid, 4,5-dimethyl-2-hydroxybenzoic acid
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 3.4 |
| 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 | 58138-52-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)O)C(=O)O |
| InChIKey | VFIVMIIQIYPVCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-二甲基-2-羟基苯甲酸 (CAS 58138-52-6), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 2-hydroxy-4,5-dimethylbenzoic acid.
Chemical Property Profile of 4,5-二甲基-2-羟基苯甲酸
Property Insights of 4,5-二甲基-2-羟基苯甲酸
The XLogP value of 3.4 indicates that 4,5-二甲基水杨酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 4,5-二甲基-2-羟基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-二甲基水杨酸 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 4,5-二甲基水杨酸?
The CAS number of 4,5-二甲基水杨酸 is 58138-52-6.
What is the molecular formula of 4,5-二甲基水杨酸?
The molecular formula of 4,5-二甲基水杨酸 is C9H10O3.
What is the molecular weight of 4,5-二甲基水杨酸?
The molecular weight of 4,5-二甲基水杨酸 is 166.06 g/mol.
Where can I buy 4,5-二甲基水杨酸?
You can request a quote for 4,5-二甲基水杨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-二甲基水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 4,5-二甲基水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.