F0772-0558
TL;DR: F0772-0558 (CAS 394231-10-8) is a chemical compound with molecular formula C33H36N6O8S2 and molecular weight 708.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[4-(2,5-dimethoxyphenyl)-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: F0772-0558, ethyl 4-(2-((4-(2,5-dimethoxyphenyl)-5-((4-(pyrrolidin-1-ylsulfonyl)benzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-(2-{[4-(2,5-dimethoxyphenyl)-5-({[4-(pyrrolidine-1-sulfonyl)phenyl]formamido}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, ethyl 4-[[2-[[4-(2,5-dimethoxyphenyl)-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, ethyl p-({[4-(2,5-dimethoxyphenyl)-5-{[p-(1-pyrrolidinylsulfonyl)benzylamino]methyl}-4H-1,2,4-triazol-3-ylthio]methyl}carbonylamino)benzoate
| Molecular Formula | C33H36N6O8S2 |
|---|---|
| Molecular Weight | 708.20 g/mol |
| LogP | 3.9065 |
| Topological Polar Surface Area | 171.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 708.2036 |
| Heavy Atoms | 49 |
| Complexity | 1908.2465 |
Chemical Identifiers
| CAS Number | 394231-10-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=C(C=CC(=C3)OC)OC)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5 |
Product Overview
F0772-0558 (CAS 394231-10-8), with molecular formula C33H36N6O8S2 and molecular weight 708.20 g/mol. IUPAC: ethyl 4-[[2-[[4-(2,5-dimethoxyphenyl)-5-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of F0772-0558
Property Insights of F0772-0558
The XLogP value of 3.9065 indicates that F0772-0558 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.05 Ų indicates high polarity, suggesting F0772-0558 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0772-0558 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0772-0558?
The CAS number of F0772-0558 is 394231-10-8.
What is the molecular formula of F0772-0558?
The molecular formula of F0772-0558 is C33H36N6O8S2.
What is the molecular weight of F0772-0558?
The molecular weight of F0772-0558 is 708.20 g/mol.
Where can I buy F0772-0558?
You can request a quote for F0772-0558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0772-0558?
Yes, KEHONG BIO provides custom synthesis services for F0772-0558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.