ChemDiv1_014390
TL;DR: ChemDiv1_014390 (CAS 312920-16-4) is a chemical compound with molecular formula C23H16ClF3N6O5S and molecular weight 580.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: ChemDiv1_014390, F0508-4988, N-({5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl}methyl)furan-2-carboxamide, N-((5-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)methyl)furan-2-carboxamide, N-[[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
| Molecular Formula | C23H16ClF3N6O5S |
|---|---|
| Molecular Weight | 580.05 g/mol |
| LogP | 5.1015 |
| Topological Polar Surface Area | 145.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 580.0543 |
| Heavy Atoms | 39 |
| Complexity | 1509.6854 |
Chemical Identifiers
| CAS Number | 312920-16-4 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
ChemDiv1_014390 (CAS 312920-16-4), with molecular formula C23H16ClF3N6O5S and molecular weight 580.05 g/mol. IUPAC: N-[[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.
Chemical Property Profile of ChemDiv1_014390
Property Insights of ChemDiv1_014390
The XLogP value of 5.1015 indicates that ChemDiv1_014390 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.19 Ų indicates high polarity, suggesting ChemDiv1_014390 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_014390 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_014390?
The CAS number of ChemDiv1_014390 is 312920-16-4.
What is the molecular formula of ChemDiv1_014390?
The molecular formula of ChemDiv1_014390 is C23H16ClF3N6O5S.
What is the molecular weight of ChemDiv1_014390?
The molecular weight of ChemDiv1_014390 is 580.05 g/mol.
Where can I buy ChemDiv1_014390?
You can request a quote for ChemDiv1_014390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014390?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.