6B-080
TL;DR: 6B-080 (CAS 338777-94-9) is a chemical compound with molecular formula C14H16ClN5O4 and molecular weight 353.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-N-[(4-chlorophenyl)methyl]-2-N,1-dimethyl-3,5-dinitro-4H-pyridine-2,6-diamine
Also Known As: 6B-080, N~2~-(4-chlorobenzyl)-N~6~,1-dimethyl-3,5-dinitro-1,4-dihydro-2,6-pyridinediamine, 6-N-[(4-chlorophenyl)methyl]-2-N,1-dimethyl-3,5-dinitro-4H-pyridine-2,6-diamine, N-[(4-chlorophenyl)methyl]-N',1-dimethyl-3,5-dinitro-4H-pyridine-2,6-diamine, N2-[(4-chlorophenyl)methyl]-N1,6-dimethyl-3,5-dinitro-1,4-dihydropyridine-2,6-diamine
| Molecular Formula | C14H16ClN5O4 |
|---|---|
| Molecular Weight | 353.09 g/mol |
| LogP | 1.8761 |
| Topological Polar Surface Area | 113.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.08908 |
| Heavy Atoms | 24 |
| Complexity | 729.1853 |
Chemical Identifiers
| CAS Number | 338777-94-9 |
|---|---|
| SMILES | CNC1=C(CC(=C(N1C)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
6B-080 (CAS 338777-94-9), with molecular formula C14H16ClN5O4 and molecular weight 353.09 g/mol. IUPAC: 6-N-[(4-chlorophenyl)methyl]-2-N,1-dimethyl-3,5-dinitro-4H-pyridine-2,6-diamine.
Chemical Property Profile of 6B-080
Property Insights of 6B-080
The XLogP value of 1.8761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6B-080. The TPSA of 113.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 6B-080. Following Lipinski's Rule of Five, 6B-080 has 2 hydrogen bond donor(s) and 7 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 6B-080?
The CAS number of 6B-080 is 338777-94-9.
What is the molecular formula of 6B-080?
The molecular formula of 6B-080 is C14H16ClN5O4.
What is the molecular weight of 6B-080?
The molecular weight of 6B-080 is 353.09 g/mol.
Where can I buy 6B-080?
You can request a quote for 6B-080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6B-080?
Yes, KEHONG BIO provides custom synthesis services for 6B-080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.