BAS 00850259
TL;DR: BAS 00850259 (CAS 401651-14-7) is a chemical compound with molecular formula C25H21Cl2N3O5S and molecular weight 545.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-4-(2-chlorophenyl)-6-methoxy-8-nitro-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
Also Known As: BAS 00850259, 1-chloro-4-(2-chlorophenyl)-8-nitro-2-({2-nitrophenyl}sulfanyl)-6-methoxy-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline, 1-chloro-4-(2-chlorophenyl)-6-methoxy-8-nitro-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
Technical Specifications
| Molecular Formula | C25H21Cl2N3O5S |
| Molecular Weight | 545.0579 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 545.0579 Da |
| Heavy Atoms | 36 |
| Complexity | 816.0 |
| SMILES | COC1=CC(=CC2=C1NC(C3C2C(C(C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=CC=CC=C5Cl)[N+](=O)[O-] |
| InChIKey | JIMKMDDRROAWOA-UHFFFAOYSA-N |
Chemical Property Profile of BAS 00850259
Property Insights of BAS 00850259
The XLogP value of 6.8 indicates that BAS 00850259 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00850259. Following Lipinski's Rule of Five, BAS 00850259 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BAS 00850259?
The CAS number of BAS 00850259 is 401651-14-7.
What is the molecular formula of BAS 00850259?
The molecular formula of BAS 00850259 is C25H21Cl2N3O5S.
What is the molecular weight of BAS 00850259?
The molecular weight of BAS 00850259 is 545.0579 g/mol.
Where can I buy BAS 00850259?
You can request a quote for BAS 00850259 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 00850259?
Yes, CoreyChem provides custom synthesis services for BAS 00850259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.