3,5-二甲基水杨酸
TL;DR: 3,5-二甲基水杨酸 (CAS 6245-04-1) 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.
3,5-二甲基水杨酸
2-hydroxy-3,5-dimethylbenzoic acid
Also Known As: 2-hydroxy-3,5-dimethylbenzoic acid, 3,5-Dimethylsalicylic acid, 2-Hydroxy-3-methyl-benzoic acid, 2-hydroxy-3,5-dimethylbenzoicacid, Mesitylenic acid, 2-hydroxy-
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 4.0 |
| 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 | 6245-04-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(=O)O)O)C |
| InChIKey | MCFGYHKPYCQXJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二甲基水杨酸 (CAS 6245-04-1), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 2-hydroxy-3,5-dimethylbenzoic acid.
Chemical Property Profile of 3,5-二甲基水杨酸
Property Insights of 3,5-二甲基水杨酸
The XLogP value of 4.0 indicates that 3,5-二甲基水杨酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3,5-二甲基水杨酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二甲基水杨酸 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 3,5-二甲基水杨酸?
The CAS number of 3,5-二甲基水杨酸 is 6245-04-1.
What is the molecular formula of 3,5-二甲基水杨酸?
The molecular formula of 3,5-二甲基水杨酸 is C9H10O3.
What is the molecular weight of 3,5-二甲基水杨酸?
The molecular weight of 3,5-二甲基水杨酸 is 166.06 g/mol.
Where can I buy 3,5-二甲基水杨酸?
You can request a quote for 3,5-二甲基水杨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二甲基水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二甲基水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.