F0772-0594
TL;DR: F0772-0594 (CAS 309968-57-8) is a chemical compound with molecular formula C33H36N6O7S2 and molecular weight 692.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[4-(2,5-dimethylphenyl)-5-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F0772-0594, ethyl 4-(2-((4-(2,5-dimethylphenyl)-5-((4-(morpholinosulfonyl)benzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-(2-{[4-(2,5-dimethylphenyl)-5-({[4-(morpholine-4-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, ethyl 4-[[2-[[4-(2,5-dimethylphenyl)-5-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C33H36N6O7S2 |
|---|---|
| Molecular Weight | 692.21 g/mol |
| LogP | 3.74254 |
| Topological Polar Surface Area | 161.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 692.2087 |
| Heavy Atoms | 48 |
| Complexity | 1888.4318 |
Chemical Identifiers
| CAS Number | 309968-57-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)C)C)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5 |
Product Overview
F0772-0594 (CAS 309968-57-8), with molecular formula C33H36N6O7S2 and molecular weight 692.21 g/mol. IUPAC: ethyl 4-[[2-[[4-(2,5-dimethylphenyl)-5-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F0772-0594
Property Insights of F0772-0594
The XLogP value of 3.74254 indicates that F0772-0594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.82 Ų indicates high polarity, suggesting F0772-0594 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0772-0594 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 F0772-0594?
The CAS number of F0772-0594 is 309968-57-8.
What is the molecular formula of F0772-0594?
The molecular formula of F0772-0594 is C33H36N6O7S2.
What is the molecular weight of F0772-0594?
The molecular weight of F0772-0594 is 692.21 g/mol.
Where can I buy F0772-0594?
You can request a quote for F0772-0594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0772-0594?
Yes, KEHONG BIO provides custom synthesis services for F0772-0594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.