3-Amino-7-nitroisoquinoline-4-carboxamide
TL;DR: 3-Amino-7-nitroisoquinoline-4-carboxamide (CAS 515832-81-2) is a chemical compound with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-7-nitroisoquinoline-4-carboxamide
Also Known As: 3-amino-7-nitroisoquinoline-4-carboxamide, UFDHCFIEWMDVGE-UHFFFAOYSA, UFDHCFIEWMDVGE-UHFFFAOYSA-, 3-amino-7-nitro-4-isoquinolinecarboxamide, 3-amino-4-carbamoyl-7-nitroisoquinoline
| Molecular Formula | C10H8N4O3 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 0.8241 |
| Topological Polar Surface Area | 125.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.05965 |
| Heavy Atoms | 17 |
| Complexity | 638.72876 |
Chemical Identifiers
| CAS Number | 515832-81-2 |
|---|---|
| SMILES | C1=CC2=C(C(=NC=C2C=C1[N+](=O)[O-])N)C(=O)N |
Product Overview
3-Amino-7-nitroisoquinoline-4-carboxamide (CAS 515832-81-2), with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol. IUPAC: 3-amino-7-nitroisoquinoline-4-carboxamide.
Chemical Property Profile of 3-Amino-7-nitroisoquinoline-4-carboxamide
Property Insights of 3-Amino-7-nitroisoquinoline-4-carboxamide
The XLogP value of 0.8241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-7-nitroisoquinoline-4-carboxamide. The TPSA of 125.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-7-nitroisoquinoline-4-carboxamide. Following Lipinski's Rule of Five, 3-Amino-7-nitroisoquinoline-4-carboxamide 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-Amino-7-nitroisoquinoline-4-carboxamide?
The CAS number of 3-Amino-7-nitroisoquinoline-4-carboxamide is 515832-81-2.
What is the molecular formula of 3-Amino-7-nitroisoquinoline-4-carboxamide?
The molecular formula of 3-Amino-7-nitroisoquinoline-4-carboxamide is C10H8N4O3.
What is the molecular weight of 3-Amino-7-nitroisoquinoline-4-carboxamide?
The molecular weight of 3-Amino-7-nitroisoquinoline-4-carboxamide is 232.06 g/mol.
Where can I buy 3-Amino-7-nitroisoquinoline-4-carboxamide?
You can request a quote for 3-Amino-7-nitroisoquinoline-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-7-nitroisoquinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-7-nitroisoquinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.