J1.382.218B
TL;DR: J1.382.218B (CAS 216432-41-6) is a chemical compound with molecular formula C17H11ClN4O3S and molecular weight 386.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-3-oxo-2-quinolin-2-ylpropanenitrile
Also Known As: J1.382.218B, 3-(5-chloro-2-methanesulfonylpyrimidin-4-yl)-3-oxo-2-(quinolin-2-yl)propanenitrile, 2-(2-Quinolyl)-3-[2-(methylsulfonyl)-5-chloro-4-pyrimidinyl]-3-oxopropiononitrile, 3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-3-oxo-2-quinolin-2-ylpropanenitrile
| Molecular Formula | C17H11ClN4O3S |
|---|---|
| Molecular Weight | 386.02 g/mol |
| LogP | 2.57178 |
| Topological Polar Surface Area | 113.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.02405 |
| Heavy Atoms | 26 |
| Complexity | 1172.0867 |
Chemical Identifiers
| CAS Number | 216432-41-6 |
|---|---|
| SMILES | CS(=O)(=O)C1=NC=C(C(=N1)C(=O)C(C#N)C2=NC3=CC=CC=C3C=C2)Cl |
Product Overview
J1.382.218B (CAS 216432-41-6), with molecular formula C17H11ClN4O3S and molecular weight 386.02 g/mol. IUPAC: 3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-3-oxo-2-quinolin-2-ylpropanenitrile.
Chemical Property Profile of J1.382.218B
Property Insights of J1.382.218B
The XLogP value of 2.57178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.382.218B. The TPSA of 113.67 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.382.218B. Following Lipinski's Rule of Five, J1.382.218B has 0 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 J1.382.218B?
The CAS number of J1.382.218B is 216432-41-6.
What is the molecular formula of J1.382.218B?
The molecular formula of J1.382.218B is C17H11ClN4O3S.
What is the molecular weight of J1.382.218B?
The molecular weight of J1.382.218B is 386.02 g/mol.
Where can I buy J1.382.218B?
You can request a quote for J1.382.218B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.382.218B?
Yes, KEHONG BIO provides custom synthesis services for J1.382.218B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.