F0721-0813
TL;DR: F0721-0813 (CAS 394213-79-7) is a chemical compound with molecular formula C26H27BrN8O4S4 and molecular weight 722.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-bromophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: F0721-0813, N-{[4-(4-bromophenyl)-5-[({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]carbamoyl}methyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide, N-((4-(4-bromophenyl)-5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-[[4-(4-bromophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide, p-({[4-(p-bromophenyl)-5-{[N-5-(ethylthio)-1,3,4-thiadiazol-2-ylcarbamoyl]methylthio}-4H-1,2,4-triazol-3-yl]methyl}carbamoyl)phenyl(oxo)-1-pyrrolidinyl-lambda-sulfaniumolate
| Molecular Formula | C26H27BrN8O4S4 |
|---|---|
| Molecular Weight | 722.02 g/mol |
| LogP | 4.4386 |
| Topological Polar Surface Area | 152.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 722.02216 |
| Heavy Atoms | 43 |
| Complexity | 1688.652 |
Chemical Identifiers
| CAS Number | 394213-79-7 |
|---|---|
| SMILES | CCSC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5 |
Product Overview
F0721-0813 (CAS 394213-79-7), with molecular formula C26H27BrN8O4S4 and molecular weight 722.02 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of F0721-0813
Property Insights of F0721-0813
The XLogP value of 4.4386 indicates that F0721-0813 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.07 Ų indicates high polarity, suggesting F0721-0813 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0721-0813 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0721-0813?
The CAS number of F0721-0813 is 394213-79-7.
What is the molecular formula of F0721-0813?
The molecular formula of F0721-0813 is C26H27BrN8O4S4.
What is the molecular weight of F0721-0813?
The molecular weight of F0721-0813 is 722.02 g/mol.
Where can I buy F0721-0813?
You can request a quote for F0721-0813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0721-0813?
Yes, KEHONG BIO provides custom synthesis services for F0721-0813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.