ChemDiv1_014214
TL;DR: ChemDiv1_014214 (CAS 317328-58-8) is a chemical compound with molecular formula C23H24N8O4S3 and molecular weight 572.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylsulfamoyl)-N-[[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: ChemDiv1_014214, AB00667991-01, 4-(dimethylsulfamoyl)-N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide, F0508-3819, 4-(N,N-dimethylsulfamoyl)-N-((5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
| Molecular Formula | C23H24N8O4S3 |
|---|---|
| Molecular Weight | 572.11 g/mol |
| LogP | 2.33832 |
| Topological Polar Surface Area | 152.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 572.1083 |
| Heavy Atoms | 38 |
| Complexity | 1534.3577 |
Chemical Identifiers
| CAS Number | 317328-58-8 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C |
Product Overview
ChemDiv1_014214 (CAS 317328-58-8), with molecular formula C23H24N8O4S3 and molecular weight 572.11 g/mol. IUPAC: 4-(dimethylsulfamoyl)-N-[[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of ChemDiv1_014214
Property Insights of ChemDiv1_014214
The XLogP value of 2.33832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_014214. The TPSA of 152.07 Ų indicates high polarity, suggesting ChemDiv1_014214 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_014214 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_014214?
The CAS number of ChemDiv1_014214 is 317328-58-8.
What is the molecular formula of ChemDiv1_014214?
The molecular formula of ChemDiv1_014214 is C23H24N8O4S3.
What is the molecular weight of ChemDiv1_014214?
The molecular weight of ChemDiv1_014214 is 572.11 g/mol.
Where can I buy ChemDiv1_014214?
You can request a quote for ChemDiv1_014214 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014214?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.