F0520-3892
TL;DR: F0520-3892 (CAS 393819-67-5) is a chemical compound with molecular formula C31H32N6O6S2 and molecular weight 648.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: F0520-3892, ethyl 2-(2-((5-((4-nitrobenzamido)methyl)-4-phenethyl-4H-1,2,4-triazol-3-yl)thio)propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ETHYL 2-{2-[(5-{[(4-NITROPHENYL)FORMAMIDO]METHYL}-4-(2-PHENYLETHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]PROPANAMIDO}-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-[2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C31H32N6O6S2 |
|---|---|
| Molecular Weight | 648.18 g/mol |
| LogP | 5.2052 |
| Topological Polar Surface Area | 158.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 648.1825 |
| Heavy Atoms | 45 |
| Complexity | 1703.3129 |
Chemical Identifiers
| CAS Number | 393819-67-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NN=C(N3CCC4=CC=CC=C4)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
F0520-3892 (CAS 393819-67-5), with molecular formula C31H32N6O6S2 and molecular weight 648.18 g/mol. IUPAC: ethyl 2-[2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of F0520-3892
Property Insights of F0520-3892
The XLogP value of 5.2052 indicates that F0520-3892 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.35 Ų indicates high polarity, suggesting F0520-3892 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0520-3892 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 F0520-3892?
The CAS number of F0520-3892 is 393819-67-5.
What is the molecular formula of F0520-3892?
The molecular formula of F0520-3892 is C31H32N6O6S2.
What is the molecular weight of F0520-3892?
The molecular weight of F0520-3892 is 648.18 g/mol.
Where can I buy F0520-3892?
You can request a quote for F0520-3892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0520-3892?
Yes, KEHONG BIO provides custom synthesis services for F0520-3892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.