F0772-0506
TL;DR: F0772-0506 (CAS 394230-06-9) is a chemical compound with molecular formula C29H28ClF3N6O6S2 and molecular weight 712.12 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-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide
Also Known As: F0772-0506, N-({5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl}methyl)-4-(dimethylsulfamoyl)benzamide, N-((5-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dimethylsulfamoyl)benzamide, N-[[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide
| Molecular Formula | C29H28ClF3N6O6S2 |
|---|---|
| Molecular Weight | 712.12 g/mol |
| LogP | 4.8678 |
| Topological Polar Surface Area | 144.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 712.11523 |
| Heavy Atoms | 47 |
| Complexity | 1886.1963 |
Chemical Identifiers
| CAS Number | 394230-06-9 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=C(C=CC(=C3)OC)OC)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
F0772-0506 (CAS 394230-06-9), with molecular formula C29H28ClF3N6O6S2 and molecular weight 712.12 g/mol. IUPAC: N-[[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide.
Chemical Property Profile of F0772-0506
Property Insights of F0772-0506
The XLogP value of 4.8678 indicates that F0772-0506 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.75 Ų indicates high polarity, suggesting F0772-0506 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0772-0506 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 F0772-0506?
The CAS number of F0772-0506 is 394230-06-9.
What is the molecular formula of F0772-0506?
The molecular formula of F0772-0506 is C29H28ClF3N6O6S2.
What is the molecular weight of F0772-0506?
The molecular weight of F0772-0506 is 712.12 g/mol.
Where can I buy F0772-0506?
You can request a quote for F0772-0506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0772-0506?
Yes, KEHONG BIO provides custom synthesis services for F0772-0506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.