F0721-0805
TL;DR: F0721-0805 (CAS 394213-71-9) is a chemical compound with molecular formula C29H25BrClF3N6O4S2 and molecular weight 756.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-bromophenyl)-5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: F0721-0805, N-{[4-(4-bromophenyl)-5-[({[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide, N-((4-(4-bromophenyl)-5-((2-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-[[4-(4-bromophenyl)-5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide, p-({[4-(p-bromophenyl)-5-{[N-2-chloro-5-(trifluoromethyl)phenylcarbamoyl]methylthio}-4H-1,2,4-triazol-3-yl]methyl}carbamoyl)phenyl(oxo)-1-pyrrolidinyl-lambda-sulfaniumolate
| Molecular Formula | C29H25BrClF3N6O4S2 |
|---|---|
| Molecular Weight | 756.02 g/mol |
| LogP | 6.1473 |
| Topological Polar Surface Area | 126.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 756.02026 |
| Heavy Atoms | 46 |
| Complexity | 1850.1715 |
Chemical Identifiers
| CAS Number | 394213-71-9 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=C(C=C4)Br)SCC(=O)NC5=C(C=CC(=C5)C(F)(F)F)Cl |
Product Overview
F0721-0805 (CAS 394213-71-9), with molecular formula C29H25BrClF3N6O4S2 and molecular weight 756.02 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of F0721-0805
Property Insights of F0721-0805
The XLogP value of 6.1473 indicates that F0721-0805 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.29 Ų falls within the moderate polarity range, balancing permeability and solubility for F0721-0805. Following Lipinski's Rule of Five, F0721-0805 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0721-0805?
The CAS number of F0721-0805 is 394213-71-9.
What is the molecular formula of F0721-0805?
The molecular formula of F0721-0805 is C29H25BrClF3N6O4S2.
What is the molecular weight of F0721-0805?
The molecular weight of F0721-0805 is 756.02 g/mol.
Where can I buy F0721-0805?
You can request a quote for F0721-0805 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0721-0805?
Yes, KEHONG BIO provides custom synthesis services for F0721-0805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.