F0520-0491
TL;DR: F0520-0491 (CAS 393850-12-9) is a chemical compound with molecular formula C30H36N6O6S2 and molecular weight 640.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[4-cyclohexyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F0520-0491, ethyl 2-(2-((4-cyclohexyl-5-((4-methyl-3-nitrobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-{2-[(4-cyclohexyl-5-{[(4-methyl-3-nitrophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-[[4-cyclohexyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C30H36N6O6S2 |
|---|---|
| Molecular Weight | 640.21 g/mol |
| LogP | 5.77772 |
| Topological Polar Surface Area | 158.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 640.21375 |
| Heavy Atoms | 44 |
| Complexity | 1561.2755 |
Chemical Identifiers
| CAS Number | 393850-12-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4CCCCC4)CNC(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-] |
Product Overview
F0520-0491 (CAS 393850-12-9), with molecular formula C30H36N6O6S2 and molecular weight 640.21 g/mol. IUPAC: ethyl 2-[[2-[[4-cyclohexyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of F0520-0491
Property Insights of F0520-0491
The XLogP value of 5.77772 indicates that F0520-0491 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.35 Ų indicates high polarity, suggesting F0520-0491 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0520-0491 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 F0520-0491?
The CAS number of F0520-0491 is 393850-12-9.
What is the molecular formula of F0520-0491?
The molecular formula of F0520-0491 is C30H36N6O6S2.
What is the molecular weight of F0520-0491?
The molecular weight of F0520-0491 is 640.21 g/mol.
Where can I buy F0520-0491?
You can request a quote for F0520-0491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0520-0491?
Yes, KEHONG BIO provides custom synthesis services for F0520-0491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.