BAS 11177172
TL;DR: BAS 11177172 (CAS 799786-28-0) is a chemical compound with molecular formula C23H25ClN2O3S and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
Also Known As: BAS 11177172, isopropyl 2-((4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate, propan-2-yl {[4-(4-chlorophenyl)-3-cyano-5-hydroxy-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate, propan-2-yl 2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
| Molecular Formula | C23H25ClN2O3S |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 5.08998 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.12744 |
| Heavy Atoms | 30 |
| Complexity | 971.15753 |
Chemical Identifiers
| CAS Number | 799786-28-0 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Cl)C#N |
Product Overview
BAS 11177172 (CAS 799786-28-0), with molecular formula C23H25ClN2O3S and molecular weight 444.13 g/mol. IUPAC: propan-2-yl 2-[[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 11177172
Property Insights of BAS 11177172
The XLogP value of 5.08998 indicates that BAS 11177172 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11177172. Following Lipinski's Rule of Five, BAS 11177172 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 11177172?
The CAS number of BAS 11177172 is 799786-28-0.
What is the molecular formula of BAS 11177172?
The molecular formula of BAS 11177172 is C23H25ClN2O3S.
What is the molecular weight of BAS 11177172?
The molecular weight of BAS 11177172 is 444.13 g/mol.
Where can I buy BAS 11177172?
You can request a quote for BAS 11177172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11177172?
Yes, KEHONG BIO provides custom synthesis services for BAS 11177172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.