ChemDiv1_014128
TL;DR: ChemDiv1_014128 (CAS 6183-33-1) is a chemical compound with molecular formula C20H17Cl2N7O2S4 and molecular weight 584.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(3,4-dichlorophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
Also Known As: ChemDiv1_014128, F0508-5184, N-{[4-(3,4-dichlorophenyl)-5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide, N-[[4-(3,4-dichlorophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide, N-((4-(3,4-dichlorophenyl)-5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)thiophene-2-carboxamide
| Molecular Formula | C20H17Cl2N7O2S4 |
|---|---|
| Molecular Weight | 584.97 g/mol |
| LogP | 5.2599 |
| Topological Polar Surface Area | 114.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 584.97034 |
| Heavy Atoms | 35 |
| Complexity | 1326.9895 |
Chemical Identifiers
| CAS Number | 6183-33-1 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)CNC(=O)C4=CC=CS4 |
Product Overview
ChemDiv1_014128 (CAS 6183-33-1), with molecular formula C20H17Cl2N7O2S4 and molecular weight 584.97 g/mol. IUPAC: N-[[4-(3,4-dichlorophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide.
Chemical Property Profile of ChemDiv1_014128
Property Insights of ChemDiv1_014128
The XLogP value of 5.2599 indicates that ChemDiv1_014128 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_014128. Following Lipinski's Rule of Five, ChemDiv1_014128 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_014128?
The CAS number of ChemDiv1_014128 is 6183-33-1.
What is the molecular formula of ChemDiv1_014128?
The molecular formula of ChemDiv1_014128 is C20H17Cl2N7O2S4.
What is the molecular weight of ChemDiv1_014128?
The molecular weight of ChemDiv1_014128 is 584.97 g/mol.
Where can I buy ChemDiv1_014128?
You can request a quote for ChemDiv1_014128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014128?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.