BAS 00850288
TL;DR: BAS 00850288 (CAS 485389-44-4) is a chemical compound with molecular formula C26H23Cl2N3O5S and molecular weight 559.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(2-chlorophenyl)-8-ethoxy-6-nitro-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
Also Known As: BAS 00850288, 1-chloro-4-(2-chlorophenyl)-8-ethoxy-6-nitro-2-({2-nitrophenyl}sulfanyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline, 1-chloro-4-(2-chlorophenyl)-8-ethoxy-6-nitro-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
| Molecular Formula | C26H23Cl2N3O5S |
|---|---|
| Molecular Weight | 559.07 g/mol |
| LogP | 7.5937 |
| Topological Polar Surface Area | 107.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 559.07355 |
| Heavy Atoms | 37 |
| Complexity | 1373.7888 |
Chemical Identifiers
| CAS Number | 485389-44-4 |
|---|---|
| SMILES | CCOC1=CC2=C(C(=C1)[N+](=O)[O-])NC(C3C2C(C(C3)SC4=CC=CC=C4[N+](=O)[O-])Cl)C5=CC=CC=C5Cl |
Product Overview
BAS 00850288 (CAS 485389-44-4), with molecular formula C26H23Cl2N3O5S and molecular weight 559.07 g/mol. IUPAC: 1-chloro-4-(2-chlorophenyl)-8-ethoxy-6-nitro-2-(2-nitrophenyl)sulfanyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline.
Chemical Property Profile of BAS 00850288
Property Insights of BAS 00850288
The XLogP value of 7.5937 indicates that BAS 00850288 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 00850288. Following Lipinski's Rule of Five, BAS 00850288 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 00850288?
The CAS number of BAS 00850288 is 485389-44-4.
What is the molecular formula of BAS 00850288?
The molecular formula of BAS 00850288 is C26H23Cl2N3O5S.
What is the molecular weight of BAS 00850288?
The molecular weight of BAS 00850288 is 559.07 g/mol.
Where can I buy BAS 00850288?
You can request a quote for BAS 00850288 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00850288?
Yes, KEHONG BIO provides custom synthesis services for BAS 00850288 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.