F0721-0097
TL;DR: F0721-0097 (CAS 393840-17-0) is a chemical compound with molecular formula C25H21BrFN5O2S and molecular weight 553.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-bromophenyl)-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide
Also Known As: F0721-0097, N-{[4-(4-bromophenyl)-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-fluorobenzamide, N-((4-(4-bromophenyl)-5-((2-oxo-2-(m-tolylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-3-fluorobenzamide, N-[[4-(4-bromophenyl)-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide
| Molecular Formula | C25H21BrFN5O2S |
|---|---|
| Molecular Weight | 553.06 g/mol |
| LogP | 5.13812 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 553.05835 |
| Heavy Atoms | 35 |
| Complexity | 1360.2367 |
Chemical Identifiers
| CAS Number | 393840-17-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)CNC(=O)C4=CC(=CC=C4)F |
Product Overview
F0721-0097 (CAS 393840-17-0), with molecular formula C25H21BrFN5O2S and molecular weight 553.06 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide.
Chemical Property Profile of F0721-0097
Property Insights of F0721-0097
The XLogP value of 5.13812 indicates that F0721-0097 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for F0721-0097. Following Lipinski's Rule of Five, F0721-0097 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0721-0097?
The CAS number of F0721-0097 is 393840-17-0.
What is the molecular formula of F0721-0097?
The molecular formula of F0721-0097 is C25H21BrFN5O2S.
What is the molecular weight of F0721-0097?
The molecular weight of F0721-0097 is 553.06 g/mol.
Where can I buy F0721-0097?
You can request a quote for F0721-0097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0721-0097?
Yes, KEHONG BIO provides custom synthesis services for F0721-0097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.