F0520-0291
TL;DR: F0520-0291 (CAS 393849-29-1) 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-[[4-(2,3-dimethylphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: F0520-0291, ethyl 2-(2-((4-(2,3-dimethylphenyl)-5-((4-nitrobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[[2-[[4-(2,3-dimethylphenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-(2-{[4-(2,3-DIMETHYLPHENYL)-5-{[(4-NITROPHENYL)FORMAMIDO]METHYL}-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C31H32N6O6S2 |
|---|---|
| Molecular Weight | 648.18 g/mol |
| LogP | 5.57014 |
| Topological Polar Surface Area | 158.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 648.1825 |
| Heavy Atoms | 45 |
| Complexity | 1764.6582 |
Chemical Identifiers
| CAS Number | 393849-29-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC(=C4C)C)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
F0520-0291 (CAS 393849-29-1), with molecular formula C31H32N6O6S2 and molecular weight 648.18 g/mol. IUPAC: ethyl 2-[[2-[[4-(2,3-dimethylphenyl)-5-[[(4-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 F0520-0291
Property Insights of F0520-0291
The XLogP value of 5.57014 indicates that F0520-0291 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.35 Ų indicates high polarity, suggesting F0520-0291 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0520-0291 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 F0520-0291?
The CAS number of F0520-0291 is 393849-29-1.
What is the molecular formula of F0520-0291?
The molecular formula of F0520-0291 is C31H32N6O6S2.
What is the molecular weight of F0520-0291?
The molecular weight of F0520-0291 is 648.18 g/mol.
Where can I buy F0520-0291?
You can request a quote for F0520-0291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0520-0291?
Yes, KEHONG BIO provides custom synthesis services for F0520-0291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.