ChemDiv1_012423
TL;DR: ChemDiv1_012423 (CAS 309968-28-3) is a chemical compound with molecular formula C25H27N7O4S3 and molecular weight 585.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2,5-dimethylphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide
Also Known As: ChemDiv1_012423, F0772-0500, N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide, N-[[4-(2,5-dimethylphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide, 4-[(dimethylamino)sulfonyl]-N-[(4-(2,5-dimethylphenyl)-5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thio}-4H-1,2,4-triazol-3-yl)methyl]benzamide
| Molecular Formula | C25H27N7O4S3 |
|---|---|
| Molecular Weight | 585.13 g/mol |
| LogP | 3.25174 |
| Topological Polar Surface Area | 139.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 585.12866 |
| Heavy Atoms | 39 |
| Complexity | 1582.3264 |
Chemical Identifiers
| CAS Number | 309968-28-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C |
Product Overview
ChemDiv1_012423 (CAS 309968-28-3), with molecular formula C25H27N7O4S3 and molecular weight 585.13 g/mol. IUPAC: N-[[4-(2,5-dimethylphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide.
Chemical Property Profile of ChemDiv1_012423
Property Insights of ChemDiv1_012423
The XLogP value of 3.25174 indicates that ChemDiv1_012423 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012423. Following Lipinski's Rule of Five, ChemDiv1_012423 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012423?
The CAS number of ChemDiv1_012423 is 309968-28-3.
What is the molecular formula of ChemDiv1_012423?
The molecular formula of ChemDiv1_012423 is C25H27N7O4S3.
What is the molecular weight of ChemDiv1_012423?
The molecular weight of ChemDiv1_012423 is 585.13 g/mol.
Where can I buy ChemDiv1_012423?
You can request a quote for ChemDiv1_012423 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012423?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012423 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.