ChemDiv1_012595
TL;DR: ChemDiv1_012595 (CAS 310427-33-9) is a chemical compound with molecular formula C27H27FN6O5S2 and molecular weight 598.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylsulfamoyl)-N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: ChemDiv1_012595, F0721-0759, 4-(dimethylsulfamoyl)-N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]benzamide, 4-(dimethylsulfamoyl)-N-{[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide, 4-(dimethylsulfamoyl)-N-{[5-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C27H27FN6O5S2 |
|---|---|
| Molecular Weight | 598.15 g/mol |
| LogP | 3.3261 |
| Topological Polar Surface Area | 135.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 598.14685 |
| Heavy Atoms | 41 |
| Complexity | 1641.6744 |
Chemical Identifiers
| CAS Number | 310427-33-9 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)NC4=CC=C(C=C4)F |
Product Overview
ChemDiv1_012595 (CAS 310427-33-9), with molecular formula C27H27FN6O5S2 and molecular weight 598.15 g/mol. IUPAC: 4-(dimethylsulfamoyl)-N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of ChemDiv1_012595
Property Insights of ChemDiv1_012595
The XLogP value of 3.3261 indicates that ChemDiv1_012595 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012595. Following Lipinski's Rule of Five, ChemDiv1_012595 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012595?
The CAS number of ChemDiv1_012595 is 310427-33-9.
What is the molecular formula of ChemDiv1_012595?
The molecular formula of ChemDiv1_012595 is C27H27FN6O5S2.
What is the molecular weight of ChemDiv1_012595?
The molecular weight of ChemDiv1_012595 is 598.15 g/mol.
Where can I buy ChemDiv1_012595?
You can request a quote for ChemDiv1_012595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012595?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.