![4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid structure](/static/products/879/879580-11-7.webp)
4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid
TL;DR: 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid (CAS 879580-11-7) is a chemical compound with molecular formula C17H12ClNO5 and molecular weight 345.0404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(6-chloro-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoic acid
Also Known As: 4-(6-chloro-1-oxoisochroman-3-carboxamido)benzoic acid, 4-[(6-chloro-1-oxo-isochroman-3-carbonyl)amino]benzoic Acid, 4-[(6-chloro-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoic acid, 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid
Technical Specifications
| Molecular Formula | C17H12ClNO5 |
| Molecular Weight | 345.0404 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.0404 Da |
| Heavy Atoms | 24 |
| Complexity | 517.0 |
| SMILES | C1C(OC(=O)C2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O |
| InChIKey | RPSASFGFLODFBZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid
Property Insights of 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid?
The CAS number of 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid is 879580-11-7.
What is the molecular formula of 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid?
The molecular formula of 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid is C17H12ClNO5.
What is the molecular weight of 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid?
The molecular weight of 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid is 345.0404 g/mol.
Where can I buy 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid?
You can request a quote for 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.