4,6-二甲氧基水杨酸
TL;DR: 4,6-二甲氧基水杨酸 (CAS 3187-19-7) is a chemical compound with molecular formula C9H10O5 and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-二甲氧基水杨酸
2-hydroxy-4,6-dimethoxybenzoic acid
Also Known As: 2-Hydroxy-4,6-dimethoxybenzoic acid, 4,6-Dimethoxysalicylic acid, 4,6-Dimethoxy-2-hydroxybenzoic acid, 2-hydroxy-4,6-dimethoxy-benzoic acid, 3,3',4'-Trichlorobenzophenone
| Molecular Formula | C9H10O5 |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.05283 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 3187-19-7 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)OC)C(=O)O)O |
| InChIKey | LEIJLTBRQHFMDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-二甲氧基水杨酸 (CAS 3187-19-7), with molecular formula C9H10O5 and molecular weight 198.05 g/mol. IUPAC: 2-hydroxy-4,6-dimethoxybenzoic acid.
Chemical Property Profile of 4,6-二甲氧基水杨酸
Property Insights of 4,6-二甲氧基水杨酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-二甲氧基水杨酸. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-二甲氧基水杨酸. Following Lipinski's Rule of Five, 4,6-二甲氧基水杨酸 has 2 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 4,6-二甲氧基水杨酸?
The CAS number of 4,6-二甲氧基水杨酸 is 3187-19-7.
What is the molecular formula of 4,6-二甲氧基水杨酸?
The molecular formula of 4,6-二甲氧基水杨酸 is C9H10O5.
What is the molecular weight of 4,6-二甲氧基水杨酸?
The molecular weight of 4,6-二甲氧基水杨酸 is 198.05 g/mol.
Where can I buy 4,6-二甲氧基水杨酸?
You can request a quote for 4,6-二甲氧基水杨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-二甲氧基水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 4,6-二甲氧基水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.