3,4-二氢-3-氧代-2-喹喔啉甲酸
TL;DR: 3,4-二氢-3-氧代-2-喹喔啉甲酸 (CAS 1204-75-7) is a chemical compound with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二氢-3-氧代-2-喹喔啉甲酸
3-oxo-4H-quinoxaline-2-carboxylic acid
Also Known As: 3-Hydroxy-2-quinoxalinecarboxylic acid, 3-Hydroxyquinoxaline-2-carboxylic acid, 3,4-Dihydro-3-oxo-2-quinoxalinecarboxylic acid, 3-Oxo-3,4-dihydroquinoxaline-2-carboxylic acid, 3-oxo-4H-quinoxaline-2-carboxylic acid
| Molecular Formula | C9H6N2O3 |
|---|---|
| Molecular Weight | 190.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.03784 |
| Heavy Atoms | 14 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 1204-75-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C(=N2)C(=O)O |
| InChIKey | NMOWGWOAPRKWIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二氢-3-氧代-2-喹喔啉甲酸 (CAS 1204-75-7), with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol. IUPAC: 3-oxo-4H-quinoxaline-2-carboxylic acid.
Chemical Property Profile of 3,4-二氢-3-氧代-2-喹喔啉甲酸
Property Insights of 3,4-二氢-3-氧代-2-喹喔啉甲酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二氢-3-氧代-2-喹喔啉甲酸. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-二氢-3-氧代-2-喹喔啉甲酸. Following Lipinski's Rule of Five, 3,4-二氢-3-氧代-2-喹喔啉甲酸 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 3,4-二氢-3-氧代-2-喹喔啉甲酸?
The CAS number of 3,4-二氢-3-氧代-2-喹喔啉甲酸 is 1204-75-7.
What is the molecular formula of 3,4-二氢-3-氧代-2-喹喔啉甲酸?
The molecular formula of 3,4-二氢-3-氧代-2-喹喔啉甲酸 is C9H6N2O3.
What is the molecular weight of 3,4-二氢-3-氧代-2-喹喔啉甲酸?
The molecular weight of 3,4-二氢-3-氧代-2-喹喔啉甲酸 is 190.04 g/mol.
Where can I buy 3,4-二氢-3-氧代-2-喹喔啉甲酸?
You can request a quote for 3,4-二氢-3-氧代-2-喹喔啉甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二氢-3-氧代-2-喹喔啉甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氢-3-氧代-2-喹喔啉甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.