![1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone structure](/static/products/129/1293929-81-3.png)
1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone
TL;DR: 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone (CAS 1293929-81-3) is a chemical compound with molecular formula C14H13N3O3 and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]ethanone
Also Known As: 1-{3-nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone, 1-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]ethanone, 1-(3-Nitro-4-((pyridin-3-ylmethyl)amino)phenyl)ethanone, 1-(3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl)ethanone, 1-(3-nitro-4-{[(pyridin-3-yl)methyl]amino}phenyl)ethan-1-one
| Molecular Formula | C14H13N3O3 |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 2.8045 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.0957 |
| Heavy Atoms | 20 |
| Complexity | 641.3673 |
Chemical Identifiers
| CAS Number | 1293929-81-3 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)NCC2=CN=CC=C2)[N+](=O)[O-] |
Product Overview
1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone (CAS 1293929-81-3), with molecular formula C14H13N3O3 and molecular weight 271.10 g/mol. IUPAC: 1-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]ethanone.
Chemical Property Profile of 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone
Property Insights of 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone
The XLogP value of 2.8045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone. Following Lipinski's Rule of Five, 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone 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 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone?
The CAS number of 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone is 1293929-81-3.
What is the molecular formula of 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone?
The molecular formula of 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone is C14H13N3O3.
What is the molecular weight of 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone?
The molecular weight of 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone is 271.10 g/mol.
Where can I buy 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone?
You can request a quote for 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-Nitro-4-[(pyridin-3-ylmethyl)amino]phenyl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.