4-喹诺酮-3-甲酸
TL;DR: 4-喹诺酮-3-甲酸 (CAS 3478-54-4) is a chemical compound with molecular formula C10H7NO3 and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-喹诺酮-3-甲酸
4-oxo-1H-quinoline-3-carboxylic acid
Also Known As: 4-Hydroxyquinoline-3-carboxylic acid, 4-oxo-1,4-dihydroquinoline-3-carboxylic acid, null, 4-oxo-1H-quinoline-3-carboxylic acid, Ivacaftor Impurity 11
| Molecular Formula | C10H7NO3 |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.04259 |
| Heavy Atoms | 14 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 3478-54-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)O |
| InChIKey | ILNJBIQQAIIMEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-喹诺酮-3-甲酸 (CAS 3478-54-4), with molecular formula C10H7NO3 and molecular weight 189.04 g/mol. IUPAC: 4-oxo-1H-quinoline-3-carboxylic acid.
Chemical Property Profile of 4-喹诺酮-3-甲酸
Property Insights of 4-喹诺酮-3-甲酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-喹诺酮-3-甲酸. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-喹诺酮-3-甲酸. Following Lipinski's Rule of Five, 4-喹诺酮-3-甲酸 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 4-喹诺酮-3-甲酸?
The CAS number of 4-喹诺酮-3-甲酸 is 3478-54-4.
What is the molecular formula of 4-喹诺酮-3-甲酸?
The molecular formula of 4-喹诺酮-3-甲酸 is C10H7NO3.
What is the molecular weight of 4-喹诺酮-3-甲酸?
The molecular weight of 4-喹诺酮-3-甲酸 is 189.04 g/mol.
Where can I buy 4-喹诺酮-3-甲酸?
You can request a quote for 4-喹诺酮-3-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-喹诺酮-3-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-喹诺酮-3-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.