4-苯氨基-1-氧代-2H-异喹啉-3-甲酸
TL;DR: 4-苯氨基-1-氧代-2H-异喹啉-3-甲酸 (CAS 7509-17-3) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-苯氨基-1-氧代-2H-异喹啉-3-甲酸
4-anilino-1-oxo-2H-isoquinoline-3-carboxylic acid
Also Known As: 4-anilino-1-oxo-2H-isoquinoline-3-carboxylic acid, 4-Anilino-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid
| Molecular Formula | C16H12N2O3 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.08478 |
| Heavy Atoms | 21 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 7509-17-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(NC(=O)C3=CC=CC=C32)C(=O)O |
| InChIKey | OJXHEZPSOZLUIE-UHFFFAOYSA-N |
Product Overview
4-苯氨基-1-氧代-2H-异喹啉-3-甲酸 (CAS 7509-17-3), with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol. IUPAC: 4-anilino-1-oxo-2H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of 4-苯氨基-1-氧代-2H-异喹啉-3-甲酸
Property Insights of 4-苯氨基-1-氧代-2H-异喹啉-3-甲酸
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-苯氨基-1-氧代-2H-异喹啉-3-甲酸. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-苯氨基-1-氧代-2H-异喹啉-3-甲酸. Following Lipinski's Rule of Five, 4-苯氨基-1-氧代-2H-异喹啉-3-甲酸 has 3 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-苯氨基-1-氧代-2H-异喹啉-3-甲酸?
The CAS number of 4-苯氨基-1-氧代-2H-异喹啉-3-甲酸 is 7509-17-3.
What is the molecular formula of 4-苯氨基-1-氧代-2H-异喹啉-3-甲酸?
The molecular formula of 4-苯氨基-1-氧代-2H-异喹啉-3-甲酸 is C16H12N2O3.
What is the molecular weight of 4-苯氨基-1-氧代-2H-异喹啉-3-甲酸?
The molecular weight of 4-苯氨基-1-氧代-2H-异喹啉-3-甲酸 is 280.08 g/mol.
Where can I buy 4-苯氨基-1-氧代-2H-异喹啉-3-甲酸?
You can request a quote for 4-苯氨基-1-氧代-2H-异喹啉-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-苯氨基-1-氧代-2H-异喹啉-3-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-苯氨基-1-氧代-2H-异喹啉-3-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.