N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine
TL;DR: N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine (CAS 84858-95-7) is a chemical compound with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N-(5-nitro-2-pyridinyl)azepan-2-imine
Also Known As: 1-methyl-N-(5-nitropyridin-2-yl)azepan-2-imine, N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine, 2-Pyridinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-, BRN 4495693
| Molecular Formula | C12H16N4O2 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 2.5256 |
| Topological Polar Surface Area | 71.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.12732 |
| Heavy Atoms | 18 |
| Complexity | 455.65015 |
Chemical Identifiers
| CAS Number | 84858-95-7 |
|---|---|
| SMILES | CN1CCCCCC1=NC2=NC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine (CAS 84858-95-7), with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol. IUPAC: 1-methyl-N-(5-nitro-2-pyridinyl)azepan-2-imine.
Chemical Property Profile of N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine
Property Insights of N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine
The XLogP value of 2.5256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine. The TPSA of 71.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine. Following Lipinski's Rule of Five, N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine has 0 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 N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine?
The CAS number of N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine is 84858-95-7.
What is the molecular formula of N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine?
The molecular formula of N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine is C12H16N4O2.
What is the molecular weight of N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine?
The molecular weight of N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine is 248.13 g/mol.
Where can I buy N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine?
You can request a quote for N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine?
Yes, KEHONG BIO provides custom synthesis services for N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-5-nitro-2-pyridinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.