ChemDiv1_014126
TL;DR: ChemDiv1_014126 (CAS 389071-76-5) is a chemical compound with molecular formula C23H21ClFN7O3S3 and molecular weight 593.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]acetamide
Also Known As: ChemDiv1_014126, 2-(4-chlorophenoxy)-N-({5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)acetamide, F0508-3292, 2-(4-chlorophenoxy)-N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)acetamide, 2-(4-chlorophenoxy)-N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]acetamide
| Molecular Formula | C23H21ClFN7O3S3 |
|---|---|
| Molecular Weight | 593.05 g/mol |
| LogP | 4.4493 |
| Topological Polar Surface Area | 123.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 593.0541 |
| Heavy Atoms | 38 |
| Complexity | 1383.9215 |
Chemical Identifiers
| CAS Number | 389071-76-5 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)COC4=CC=C(C=C4)Cl |
Product Overview
ChemDiv1_014126 (CAS 389071-76-5), with molecular formula C23H21ClFN7O3S3 and molecular weight 593.05 g/mol. IUPAC: 2-(4-chlorophenoxy)-N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]acetamide.
Chemical Property Profile of ChemDiv1_014126
Property Insights of ChemDiv1_014126
The XLogP value of 4.4493 indicates that ChemDiv1_014126 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014126. Following Lipinski's Rule of Five, ChemDiv1_014126 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_014126?
The CAS number of ChemDiv1_014126 is 389071-76-5.
What is the molecular formula of ChemDiv1_014126?
The molecular formula of ChemDiv1_014126 is C23H21ClFN7O3S3.
What is the molecular weight of ChemDiv1_014126?
The molecular weight of ChemDiv1_014126 is 593.05 g/mol.
Where can I buy ChemDiv1_014126?
You can request a quote for ChemDiv1_014126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014126?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.