N-benzyl-2-imino-6-nitrochromene-3-carboxamide
TL;DR: N-benzyl-2-imino-6-nitrochromene-3-carboxamide (CAS 300705-08-2) is a chemical compound with molecular formula C17H13N3O4 and molecular weight 323.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-imino-6-nitrochromene-3-carboxamide
Also Known As: N-benzyl-2-imino-6-nitrochromene-3-carboxamide, BAS 01020719, NCI60_030581, N-benzyl-2-imino-6-nitro-chromene-3-carboxamide, 2-Imino-6-nitro-2H-chromene-3-carboxylic acid benzylamide
| Molecular Formula | C17H13N3O4 |
|---|---|
| Molecular Weight | 323.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.0906 |
| Heavy Atoms | 24 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 300705-08-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=N |
| InChIKey | XOWPOGBKBUXEIQ-UHFFFAOYSA-N |
Product Overview
N-benzyl-2-imino-6-nitrochromene-3-carboxamide (CAS 300705-08-2), with molecular formula C17H13N3O4 and molecular weight 323.09 g/mol. IUPAC: N-benzyl-2-imino-6-nitrochromene-3-carboxamide.
Chemical Property Profile of N-benzyl-2-imino-6-nitrochromene-3-carboxamide
Property Insights of N-benzyl-2-imino-6-nitrochromene-3-carboxamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-imino-6-nitrochromene-3-carboxamide. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-imino-6-nitrochromene-3-carboxamide. Following Lipinski's Rule of Five, N-benzyl-2-imino-6-nitrochromene-3-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 N-benzyl-2-imino-6-nitrochromene-3-carboxamide?
The CAS number of N-benzyl-2-imino-6-nitrochromene-3-carboxamide is 300705-08-2.
What is the molecular formula of N-benzyl-2-imino-6-nitrochromene-3-carboxamide?
The molecular formula of N-benzyl-2-imino-6-nitrochromene-3-carboxamide is C17H13N3O4.
What is the molecular weight of N-benzyl-2-imino-6-nitrochromene-3-carboxamide?
The molecular weight of N-benzyl-2-imino-6-nitrochromene-3-carboxamide is 323.09 g/mol.
Where can I buy N-benzyl-2-imino-6-nitrochromene-3-carboxamide?
You can request a quote for N-benzyl-2-imino-6-nitrochromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-imino-6-nitrochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-imino-6-nitrochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.