5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one
TL;DR: 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one (CAS 314040-29-4) is a chemical compound with molecular formula C12H9N3O3 and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one
Also Known As: BAS 01280726, BIM-0008712.P001, 5-nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one, 5-Nitro-2-(pyridin-2-ylamino)-cyclohepta-2,4,6-trienone, 5-nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trienone
| Molecular Formula | C12H9N3O3 |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 2.0936 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.06439 |
| Heavy Atoms | 18 |
| Complexity | 628.95166 |
Chemical Identifiers
| CAS Number | 314040-29-4 |
|---|---|
| SMILES | C1=CC=NC(=C1)NC2=CC=C(C=CC2=O)[N+](=O)[O-] |
Product Overview
5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one (CAS 314040-29-4), with molecular formula C12H9N3O3 and molecular weight 243.06 g/mol. IUPAC: 5-nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one
Property Insights of 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one
The XLogP value of 2.0936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one. Following Lipinski's Rule of Five, 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one has 1 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 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one?
The CAS number of 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one is 314040-29-4.
What is the molecular formula of 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one?
The molecular formula of 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one is C12H9N3O3.
What is the molecular weight of 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one?
The molecular weight of 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one is 243.06 g/mol.
Where can I buy 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one?
You can request a quote for 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-(pyridin-2-ylamino)cyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.