BAS 00850279
TL;DR: BAS 00850279 (CAS 401651-17-0) is a chemical compound with molecular formula C25H22ClN3O5S and molecular weight 511.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-6-methoxy-8-nitro-2-(2-nitrophenyl)sulfanyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
Also Known As: BAS 00850279, 1-chloro-8-nitro-2-({2-nitrophenyl}sulfanyl)-6-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline, 1-chloro-6-methoxy-8-nitro-2-(2-nitrophenyl)sulfanyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
| Molecular Formula | C25H22ClN3O5S |
|---|---|
| Molecular Weight | 511.10 g/mol |
| LogP | 6.5502 |
| Topological Polar Surface Area | 107.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.09686 |
| Heavy Atoms | 35 |
| Complexity | 1291.3489 |
Chemical Identifiers
| CAS Number | 401651-17-0 |
|---|---|
| SMILES | COC1=CC(=CC2=C1NC(C3C2C(C(C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=CC=CC=C5)[N+](=O)[O-] |
Product Overview
BAS 00850279 (CAS 401651-17-0), with molecular formula C25H22ClN3O5S and molecular weight 511.10 g/mol. IUPAC: 1-chloro-6-methoxy-8-nitro-2-(2-nitrophenyl)sulfanyl-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline.
Chemical Property Profile of BAS 00850279
Property Insights of BAS 00850279
The XLogP value of 6.5502 indicates that BAS 00850279 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00850279. Following Lipinski's Rule of Five, BAS 00850279 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00850279?
The CAS number of BAS 00850279 is 401651-17-0.
What is the molecular formula of BAS 00850279?
The molecular formula of BAS 00850279 is C25H22ClN3O5S.
What is the molecular weight of BAS 00850279?
The molecular weight of BAS 00850279 is 511.10 g/mol.
Where can I buy BAS 00850279?
You can request a quote for BAS 00850279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00850279?
Yes, KEHONG BIO provides custom synthesis services for BAS 00850279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.