8B-085
TL;DR: 8B-085 (CAS 339020-84-7) is a chemical compound with molecular formula C17H22N6O6S and molecular weight 438.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(benzenesulfonyl)piperazin-1-yl]-N,1-dimethyl-3,5-dinitro-4H-pyridin-2-amine
Also Known As: 8B-085, N,1-dimethyl-3,5-dinitro-6-[4-(phenylsulfonyl)piperazino]-1,4-dihydro-2-pyridinamine, 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,1-dimethyl-3,5-dinitro-4H-pyridin-2-amine, 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,1-dimethyl-3,5-dinitro-1,4-dihydropyridin-2-amine
| Molecular Formula | C17H22N6O6S |
|---|---|
| Molecular Weight | 438.13 g/mol |
| LogP | 0.4394 |
| Topological Polar Surface Area | 142.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.13214 |
| Heavy Atoms | 30 |
| Complexity | 1014.434 |
Chemical Identifiers
| CAS Number | 339020-84-7 |
|---|---|
| SMILES | CNC1=C(CC(=C(N1C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
8B-085 (CAS 339020-84-7), with molecular formula C17H22N6O6S and molecular weight 438.13 g/mol. IUPAC: 6-[4-(benzenesulfonyl)piperazin-1-yl]-N,1-dimethyl-3,5-dinitro-4H-pyridin-2-amine.
Chemical Property Profile of 8B-085
Property Insights of 8B-085
The XLogP value of 0.4394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8B-085. The TPSA of 142.17 Ų indicates high polarity, suggesting 8B-085 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8B-085 has 1 hydrogen bond donor(s) and 9 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 8B-085?
The CAS number of 8B-085 is 339020-84-7.
What is the molecular formula of 8B-085?
The molecular formula of 8B-085 is C17H22N6O6S.
What is the molecular weight of 8B-085?
The molecular weight of 8B-085 is 438.13 g/mol.
Where can I buy 8B-085?
You can request a quote for 8B-085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8B-085?
Yes, KEHONG BIO provides custom synthesis services for 8B-085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.