4-Benzylamino-3-nitropyridine
TL;DR: 4-Benzylamino-3-nitropyridine (CAS 100306-70-5) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-nitropyridin-4-amine
Also Known As: 4-BENZYLAMINO-3-NITROPYRIDINE, N-benzyl-3-nitropyridin-4-amine, 4-(Benzylamino)-3-nitropyridine, N-benzyl-3-nitro-pyridin-4-amine, 3-nitro-N-(phenylmethyl)-4-pyridinamine
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 2.6019 |
| Topological Polar Surface Area | 68.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 514.169 |
Chemical Identifiers
| CAS Number | 100306-70-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C=NC=C2)[N+](=O)[O-] |
Product Overview
4-Benzylamino-3-nitropyridine (CAS 100306-70-5), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: N-benzyl-3-nitropyridin-4-amine.
Chemical Property Profile of 4-Benzylamino-3-nitropyridine
Property Insights of 4-Benzylamino-3-nitropyridine
The XLogP value of 2.6019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylamino-3-nitropyridine. The TPSA of 68.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzylamino-3-nitropyridine. Following Lipinski's Rule of Five, 4-Benzylamino-3-nitropyridine has 1 hydrogen bond donor(s) and 4 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 4-Benzylamino-3-nitropyridine?
The CAS number of 4-Benzylamino-3-nitropyridine is 100306-70-5.
What is the molecular formula of 4-Benzylamino-3-nitropyridine?
The molecular formula of 4-Benzylamino-3-nitropyridine is C12H11N3O2.
What is the molecular weight of 4-Benzylamino-3-nitropyridine?
The molecular weight of 4-Benzylamino-3-nitropyridine is 229.09 g/mol.
Where can I buy 4-Benzylamino-3-nitropyridine?
You can request a quote for 4-Benzylamino-3-nitropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylamino-3-nitropyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylamino-3-nitropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.