3-甲酰水杨酸
TL;DR: 3-甲酰水杨酸 (CAS 610-04-8) is a chemical compound with molecular formula C8H6O4 and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲酰水杨酸
3-formyl-2-hydroxybenzoic acid
Also Known As: 3-Formylsalicylic acid, 3-Formyl-2-hydroxybenzoic acid, 2-Hydroxyisophthalaldehydic acid, 2-hydroxy-3-formylbenzoic acid, 3-FORMYLSALICYLIC ACID, 97
| Molecular Formula | C8H6O4 |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.02661 |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 610-04-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(=O)O)O)C=O |
| InChIKey | YOEUNKPREOJHBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲酰水杨酸 (CAS 610-04-8), with molecular formula C8H6O4 and molecular weight 166.03 g/mol. IUPAC: 3-formyl-2-hydroxybenzoic acid.
Chemical Property Profile of 3-甲酰水杨酸
Property Insights of 3-甲酰水杨酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲酰水杨酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-甲酰水杨酸. Following Lipinski's Rule of Five, 3-甲酰水杨酸 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 3-甲酰水杨酸?
The CAS number of 3-甲酰水杨酸 is 610-04-8.
What is the molecular formula of 3-甲酰水杨酸?
The molecular formula of 3-甲酰水杨酸 is C8H6O4.
What is the molecular weight of 3-甲酰水杨酸?
The molecular weight of 3-甲酰水杨酸 is 166.03 g/mol.
Where can I buy 3-甲酰水杨酸?
You can request a quote for 3-甲酰水杨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲酰水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 3-甲酰水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.