BAS 11177222
TL;DR: BAS 11177222 (CAS 799799-82-9) is a chemical compound with molecular formula C24H28N2O4S and molecular weight 440.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
Also Known As: BAS 11177222, F1362-0203, propyl {[3-cyano-5-hydroxy-4-(4-methoxyphenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate, propyl 2-((3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate, propyl 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate
| Molecular Formula | C24H28N2O4S |
|---|---|
| Molecular Weight | 440.18 g/mol |
| LogP | 4.44678 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.17697 |
| Heavy Atoms | 31 |
| Complexity | 970.2886 |
Chemical Identifiers
| CAS Number | 799799-82-9 |
|---|---|
| SMILES | CCCOC(=O)CSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC)C#N |
Product Overview
BAS 11177222 (CAS 799799-82-9), with molecular formula C24H28N2O4S and molecular weight 440.18 g/mol. IUPAC: propyl 2-[[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 11177222
Property Insights of BAS 11177222
The XLogP value of 4.44678 indicates that BAS 11177222 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11177222. Following Lipinski's Rule of Five, BAS 11177222 has 1 hydrogen bond donor(s) and 7 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 BAS 11177222?
The CAS number of BAS 11177222 is 799799-82-9.
What is the molecular formula of BAS 11177222?
The molecular formula of BAS 11177222 is C24H28N2O4S.
What is the molecular weight of BAS 11177222?
The molecular weight of BAS 11177222 is 440.18 g/mol.
Where can I buy BAS 11177222?
You can request a quote for BAS 11177222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11177222?
Yes, KEHONG BIO provides custom synthesis services for BAS 11177222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.