5-甲酰-3-甲基水杨酸
TL;DR: 5-甲酰-3-甲基水杨酸 (CAS 6265-16-3) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-甲酰-3-甲基水杨酸
5-formyl-2-hydroxy-3-methylbenzoic acid
Also Known As: 5-Formyl-3-methylsalicylic acid, 5-formyl-2-hydroxy-3-methylbenzoic acid, 2,3-Cresotic acid, 5-formyl-, Benzoic acid, 5-formyl-2-hydroxy-3-methyl-, 5-formyl-2-hydroxy-3-methylbenzoicacid
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 6265-16-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(=O)O)C=O |
| InChIKey | AAOLKUONXGOAGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲酰-3-甲基水杨酸 (CAS 6265-16-3), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 5-formyl-2-hydroxy-3-methylbenzoic acid.
Chemical Property Profile of 5-甲酰-3-甲基水杨酸
Property Insights of 5-甲酰-3-甲基水杨酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲酰-3-甲基水杨酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-甲酰-3-甲基水杨酸. Following Lipinski's Rule of Five, 5-甲酰-3-甲基水杨酸 has 2 hydrogen bond donor(s) and 4 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 5-甲酰-3-甲基水杨酸?
The CAS number of 5-甲酰-3-甲基水杨酸 is 6265-16-3.
What is the molecular formula of 5-甲酰-3-甲基水杨酸?
The molecular formula of 5-甲酰-3-甲基水杨酸 is C9H8O4.
What is the molecular weight of 5-甲酰-3-甲基水杨酸?
The molecular weight of 5-甲酰-3-甲基水杨酸 is 180.04 g/mol.
Where can I buy 5-甲酰-3-甲基水杨酸?
You can request a quote for 5-甲酰-3-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 5-甲酰-3-甲基水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 5-甲酰-3-甲基水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.