3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate
TL;DR: 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate (CAS 161373-48-4) is a chemical compound with molecular formula C9H5Cl2N3O2 and molecular weight 256.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6,7-dichlorocinnoline-3-carboxylic acid
Also Known As: 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate, 4-amino-6,7-dichlorocinnoline-3-carboxylic acid, 4-Amino-6,7-dichloro-3-cinnolinecarboxylic acid hydrate, NCI60_024154, 6,7-Dichloro-4-aminocinnoline-3-carboxylic acid
| Molecular Formula | C9H5Cl2N3O2 |
|---|---|
| Molecular Weight | 256.98 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.9759 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 161373-48-4 |
|---|---|
| SMILES | C1=C2C(=CC(=C1Cl)Cl)N=NC(=C2N)C(=O)O |
| InChIKey | IMBXVSYZRSVZCD-UHFFFAOYSA-N |
Product Overview
3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate (CAS 161373-48-4), with molecular formula C9H5Cl2N3O2 and molecular weight 256.98 g/mol. IUPAC: 4-amino-6,7-dichlorocinnoline-3-carboxylic acid.
Chemical Property Profile of 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate
Property Insights of 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate. Following Lipinski's Rule of Five, 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate 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
Frequently Asked Questions
What is the CAS number of 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate?
The CAS number of 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate is 161373-48-4.
What is the molecular formula of 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate?
The molecular formula of 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate is C9H5Cl2N3O2.
What is the molecular weight of 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate?
The molecular weight of 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate is 256.98 g/mol.
Where can I buy 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate?
You can request a quote for 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Cinnolinecarboxylic acid, 4-amino-6,7-dichloro-, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.