F0772-1516
TL;DR: F0772-1516 (CAS 394662-77-2) is a chemical compound with molecular formula C28H28N6O4S and molecular weight 544.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide
Also Known As: F0772-1516, N-((4-(2,3-dimethylphenyl)-5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-nitrobenzamide, N-[[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide, N-{[4-(2,3-dimethylphenyl)-5-({[(2,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide
| Molecular Formula | C28H28N6O4S |
|---|---|
| Molecular Weight | 544.19 g/mol |
| LogP | 5.06998 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 544.1893 |
| Heavy Atoms | 39 |
| Complexity | 1548.4011 |
Chemical Identifiers
| CAS Number | 394662-77-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3C)C)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
F0772-1516 (CAS 394662-77-2), with molecular formula C28H28N6O4S and molecular weight 544.19 g/mol. IUPAC: N-[[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide.
Chemical Property Profile of F0772-1516
Property Insights of F0772-1516
The XLogP value of 5.06998 indicates that F0772-1516 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.05 Ų falls within the moderate polarity range, balancing permeability and solubility for F0772-1516. Following Lipinski's Rule of Five, F0772-1516 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 F0772-1516?
The CAS number of F0772-1516 is 394662-77-2.
What is the molecular formula of F0772-1516?
The molecular formula of F0772-1516 is C28H28N6O4S.
What is the molecular weight of F0772-1516?
The molecular weight of F0772-1516 is 544.19 g/mol.
Where can I buy F0772-1516?
You can request a quote for F0772-1516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0772-1516?
Yes, KEHONG BIO provides custom synthesis services for F0772-1516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.