Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate
TL;DR: Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate (CAS 4066-90-4) is a chemical compound with molecular formula C17H22N2O4S2 and molecular weight 382.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate
Also Known As: Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate, Propan-2-yl N-(quinoline-8-sulfonyl)methioninate
| Molecular Formula | C17H22N2O4S2 |
|---|---|
| Molecular Weight | 382.10 g/mol |
| LogP | 2.5864 |
| Topological Polar Surface Area | 85.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.1021 |
| Heavy Atoms | 25 |
| Complexity | 832.1617 |
Chemical Identifiers
| CAS Number | 4066-90-4 |
|---|---|
| SMILES | CC(C)OC(=O)C(CCSC)NS(=O)(=O)C1=CC=CC2=C1N=CC=C2 |
Product Overview
Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate (CAS 4066-90-4), with molecular formula C17H22N2O4S2 and molecular weight 382.10 g/mol. IUPAC: propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate.
Chemical Property Profile of Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate
Property Insights of Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate
The XLogP value of 2.5864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate. The TPSA of 85.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate. Following Lipinski's Rule of Five, Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate has 1 hydrogen bond donor(s) and 6 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 Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate?
The CAS number of Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate is 4066-90-4.
What is the molecular formula of Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate?
The molecular formula of Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate is C17H22N2O4S2.
What is the molecular weight of Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate?
The molecular weight of Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate is 382.10 g/mol.
Where can I buy Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate?
You can request a quote for Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 4-methylsulfanyl-2-(quinolin-8-ylsulfonylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.