F0772-1638
TL;DR: F0772-1638 (CAS 394663-40-2) is a chemical compound with molecular formula C30H28F3N5O4S and molecular weight 611.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[4-(2,3-dimethylphenyl)-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F0772-1638, ethyl 4-(2-((4-(2,3-dimethylphenyl)-5-((2-(trifluoromethyl)benzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-(2-{[4-(2,3-dimethylphenyl)-5-({[2-(trifluoromethyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, ethyl 4-[[2-[[4-(2,3-dimethylphenyl)-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, ethyl p-{[(5-{[o-(trifluoromethyl)benzylamino]methyl}-4-(2,3-xylyl)-4H-1,2,4-triazol-3-ylthio)methyl]carbonylamino}benzoate
| Molecular Formula | C30H28F3N5O4S |
|---|---|
| Molecular Weight | 611.18 g/mol |
| LogP | 5.74044 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 611.1814 |
| Heavy Atoms | 43 |
| Complexity | 1637.7483 |
Chemical Identifiers
| CAS Number | 394663-40-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3C)C)CNC(=O)C4=CC=CC=C4C(F)(F)F |
Product Overview
F0772-1638 (CAS 394663-40-2), with molecular formula C30H28F3N5O4S and molecular weight 611.18 g/mol. IUPAC: ethyl 4-[[2-[[4-(2,3-dimethylphenyl)-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F0772-1638
Property Insights of F0772-1638
The XLogP value of 5.74044 indicates that F0772-1638 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.21 Ų falls within the moderate polarity range, balancing permeability and solubility for F0772-1638. Following Lipinski's Rule of Five, F0772-1638 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 F0772-1638?
The CAS number of F0772-1638 is 394663-40-2.
What is the molecular formula of F0772-1638?
The molecular formula of F0772-1638 is C30H28F3N5O4S.
What is the molecular weight of F0772-1638?
The molecular weight of F0772-1638 is 611.18 g/mol.
Where can I buy F0772-1638?
You can request a quote for F0772-1638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0772-1638?
Yes, KEHONG BIO provides custom synthesis services for F0772-1638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.