F0520-0461
TL;DR: F0520-0461 (CAS 393849-73-5) is a chemical compound with molecular formula C30H29FN6O6S2 and molecular weight 652.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[4-(4-fluorophenyl)-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: F0520-0461, ethyl 2-(2-((4-(4-fluorophenyl)-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-(4-fluorophenyl)-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, ETHYL 2-(2-{[4-(4-FLUOROPHENYL)-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
| Molecular Formula | C30H29FN6O6S2 |
|---|---|
| Molecular Weight | 652.16 g/mol |
| LogP | 5.40082 |
| Topological Polar Surface Area | 158.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 652.1574 |
| Heavy Atoms | 45 |
| Complexity | 1771.0316 |
Chemical Identifiers
| CAS Number | 393849-73-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CNC(=O)C5=CC(=C(C=C5)C)[N+](=O)[O-] |
Product Overview
F0520-0461 (CAS 393849-73-5), with molecular formula C30H29FN6O6S2 and molecular weight 652.16 g/mol. IUPAC: ethyl 2-[[2-[[4-(4-fluorophenyl)-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 F0520-0461
Property Insights of F0520-0461
The XLogP value of 5.40082 indicates that F0520-0461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.35 Ų indicates high polarity, suggesting F0520-0461 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0520-0461 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 F0520-0461?
The CAS number of F0520-0461 is 393849-73-5.
What is the molecular formula of F0520-0461?
The molecular formula of F0520-0461 is C30H29FN6O6S2.
What is the molecular weight of F0520-0461?
The molecular weight of F0520-0461 is 652.16 g/mol.
Where can I buy F0520-0461?
You can request a quote for F0520-0461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0520-0461?
Yes, KEHONG BIO provides custom synthesis services for F0520-0461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.