J1.382.224G
TL;DR: J1.382.224G (CAS 299218-29-4) is a chemical compound with molecular formula C15H8ClN5O6S and molecular weight 420.99 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)-2-(6-nitro-1,3-benzoxazol-2-yl)-3-oxopropanenitrile
Also Known As: J1.382.224G, 3-(5-chloro-2-methanesulfonylpyrimidin-4-yl)-2-(6-nitro-1,3-benzoxazol-2-yl)-3-oxopropanenitrile, 2-(6-Nitrobenzoxazole-2-yl)-3-[2-(methylsulfonyl)-5-chloro-4-pyrimidinyl]-3-oxopropiononitrile, 3-(5-chloro-2-methylsulfonyl-pyrimidin-4-yl)-2-(6-nitrobenzooxazol-2-yl)-3-oxo-propanenitrile, 3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-2-(6-nitro-1,3-benzoxazol-2-yl)-3-oxopropanenitrile
| Molecular Formula | C15H8ClN5O6S |
|---|---|
| Molecular Weight | 420.99 g/mol |
| LogP | 2.07298 |
| Topological Polar Surface Area | 169.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.98837 |
| Heavy Atoms | 28 |
| Complexity | 1279.8037 |
Chemical Identifiers
| CAS Number | 299218-29-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=NC=C(C(=N1)C(=O)C(C#N)C2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
J1.382.224G (CAS 299218-29-4), with molecular formula C15H8ClN5O6S and molecular weight 420.99 g/mol. IUPAC: 3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-2-(6-nitro-1,3-benzoxazol-2-yl)-3-oxopropanenitrile.
Chemical Property Profile of J1.382.224G
Property Insights of J1.382.224G
The XLogP value of 2.07298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.382.224G. The TPSA of 169.95 Ų indicates high polarity, suggesting J1.382.224G may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.382.224G has 0 hydrogen bond donor(s) and 10 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 J1.382.224G?
The CAS number of J1.382.224G is 299218-29-4.
What is the molecular formula of J1.382.224G?
The molecular formula of J1.382.224G is C15H8ClN5O6S.
What is the molecular weight of J1.382.224G?
The molecular weight of J1.382.224G is 420.99 g/mol.
Where can I buy J1.382.224G?
You can request a quote for J1.382.224G directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.382.224G?
Yes, KEHONG BIO provides custom synthesis services for J1.382.224G and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.