ChemDiv3_011250
TL;DR: ChemDiv3_011250 (CAS 863448-83-3) is a chemical compound with molecular formula C16H20ClN3O4S3 and molecular weight 449.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfonyl-5-(4-ethylpiperazin-1-yl)-2-methylsulfonyl-1,3-thiazole
Also Known As: ChemDiv3_011250, IDI1_028808, BRD-K63646611-001-01-8, 1-[4-(4-chlorobenzenesulfonyl)-2-methanesulfonyl-1,3-thiazol-5-yl]-4-ethylpiperazine, 4-(4-chlorophenyl)sulfonyl-5-(4-ethylpiperazin-1-yl)-2-methylsulfonyl-1,3-thiazole
| Molecular Formula | C16H20ClN3O4S3 |
|---|---|
| Molecular Weight | 449.03 g/mol |
| LogP | 2.1747 |
| Topological Polar Surface Area | 87.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.03046 |
| Heavy Atoms | 27 |
| Complexity | 1025.3628 |
Chemical Identifiers
| CAS Number | 863448-83-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C(N=C(S2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
ChemDiv3_011250 (CAS 863448-83-3), with molecular formula C16H20ClN3O4S3 and molecular weight 449.03 g/mol. IUPAC: 4-(4-chlorophenyl)sulfonyl-5-(4-ethylpiperazin-1-yl)-2-methylsulfonyl-1,3-thiazole.
Chemical Property Profile of ChemDiv3_011250
Property Insights of ChemDiv3_011250
The XLogP value of 2.1747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_011250. The TPSA of 87.65 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_011250. Following Lipinski's Rule of Five, ChemDiv3_011250 has 0 hydrogen bond donor(s) and 8 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 ChemDiv3_011250?
The CAS number of ChemDiv3_011250 is 863448-83-3.
What is the molecular formula of ChemDiv3_011250?
The molecular formula of ChemDiv3_011250 is C16H20ClN3O4S3.
What is the molecular weight of ChemDiv3_011250?
The molecular weight of ChemDiv3_011250 is 449.03 g/mol.
Where can I buy ChemDiv3_011250?
You can request a quote for ChemDiv3_011250 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011250?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.