F0772-0522
TL;DR: F0772-0522 (CAS 309968-44-3) is a chemical compound with molecular formula C31H34N6O7S2 and molecular weight 666.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F0772-0522, ethyl 4-(2-{[5-({[4-(dimethylsulfamoyl)phenyl]formamido}methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, ethyl 4-[[2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, ethyl 4-(2-((5-((4-(N,N-dimethylsulfamoyl)benzamido)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-{[({5-[({[4-(dimethylsulfamoyl)phenyl]carbonyl}amino)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
| Molecular Formula | C31H34N6O7S2 |
|---|---|
| Molecular Weight | 666.19 g/mol |
| LogP | 3.7538 |
| Topological Polar Surface Area | 161.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 666.19305 |
| Heavy Atoms | 46 |
| Complexity | 1773.5465 |
Chemical Identifiers
| CAS Number | 309968-44-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OCC)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N(C)C |
Product Overview
F0772-0522 (CAS 309968-44-3), with molecular formula C31H34N6O7S2 and molecular weight 666.19 g/mol. IUPAC: ethyl 4-[[2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F0772-0522
Property Insights of F0772-0522
The XLogP value of 3.7538 indicates that F0772-0522 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.82 Ų indicates high polarity, suggesting F0772-0522 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0772-0522 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0772-0522?
The CAS number of F0772-0522 is 309968-44-3.
What is the molecular formula of F0772-0522?
The molecular formula of F0772-0522 is C31H34N6O7S2.
What is the molecular weight of F0772-0522?
The molecular weight of F0772-0522 is 666.19 g/mol.
Where can I buy F0772-0522?
You can request a quote for F0772-0522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0772-0522?
Yes, KEHONG BIO provides custom synthesis services for F0772-0522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.