F0721-0176
TL;DR: F0721-0176 (CAS 393840-93-2) is a chemical compound with molecular formula C22H19BrN6O3S2 and molecular weight 558.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-bromophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide
Also Known As: F0721-0176, N-{[4-(4-bromophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide, N-((4-(4-bromophenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-methoxybenzamide, N-[[4-(4-bromophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide
| Molecular Formula | C22H19BrN6O3S2 |
|---|---|
| Molecular Weight | 558.01 g/mol |
| LogP | 4.1557 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 558.01434 |
| Heavy Atoms | 34 |
| Complexity | 1278.3041 |
Chemical Identifiers
| CAS Number | 393840-93-2 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC4=NC=CS4 |
Product Overview
F0721-0176 (CAS 393840-93-2), with molecular formula C22H19BrN6O3S2 and molecular weight 558.01 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide.
Chemical Property Profile of F0721-0176
Property Insights of F0721-0176
The XLogP value of 4.1557 indicates that F0721-0176 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.03 Ų falls within the moderate polarity range, balancing permeability and solubility for F0721-0176. Following Lipinski's Rule of Five, F0721-0176 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 F0721-0176?
The CAS number of F0721-0176 is 393840-93-2.
What is the molecular formula of F0721-0176?
The molecular formula of F0721-0176 is C22H19BrN6O3S2.
What is the molecular weight of F0721-0176?
The molecular weight of F0721-0176 is 558.01 g/mol.
Where can I buy F0721-0176?
You can request a quote for F0721-0176 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0721-0176?
Yes, KEHONG BIO provides custom synthesis services for F0721-0176 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.