F0772-0173
TL;DR: F0772-0173 (CAS 394224-44-3) is a chemical compound with molecular formula C31H35N5O5S and molecular weight 589.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[[4-(2,5-dimethoxyphenyl)-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0772-0173, 4-tert-butyl-N-[[4-(2,5-dimethoxyphenyl)-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide, 4-tert-butyl-N-{[4-(2,5-dimethoxyphenyl)-5-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide, 4-(tert-butyl)-N-((4-(2,5-dimethoxyphenyl)-5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzamide, 4-tert-butyl-N-{[4-(2,5-dimethoxyphenyl)-5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C31H35N5O5S |
|---|---|
| Molecular Weight | 589.24 g/mol |
| LogP | 5.2514 |
| Topological Polar Surface Area | 116.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 589.2359 |
| Heavy Atoms | 42 |
| Complexity | 1529.0592 |
Chemical Identifiers
| CAS Number | 394224-44-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=C(C=CC(=C3)OC)OC)SCC(=O)NC4=CC=C(C=C4)OC |
Product Overview
F0772-0173 (CAS 394224-44-3), with molecular formula C31H35N5O5S and molecular weight 589.24 g/mol. IUPAC: 4-tert-butyl-N-[[4-(2,5-dimethoxyphenyl)-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of F0772-0173
Property Insights of F0772-0173
The XLogP value of 5.2514 indicates that F0772-0173 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.6 Ų falls within the moderate polarity range, balancing permeability and solubility for F0772-0173. Following Lipinski's Rule of Five, F0772-0173 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 F0772-0173?
The CAS number of F0772-0173 is 394224-44-3.
What is the molecular formula of F0772-0173?
The molecular formula of F0772-0173 is C31H35N5O5S.
What is the molecular weight of F0772-0173?
The molecular weight of F0772-0173 is 589.24 g/mol.
Where can I buy F0772-0173?
You can request a quote for F0772-0173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0772-0173?
Yes, KEHONG BIO provides custom synthesis services for F0772-0173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.