F0520-0285
TL;DR: F0520-0285 (CAS 393849-25-7) is a chemical compound with molecular formula C29H27ClN6O8S2 and molecular weight 686.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[2-[[4-(3-chlorophenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: F0520-0285, diethyl 5-[[2-[[4-(3-chlorophenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate, 2,4-DIETHYL 5-(2-{[4-(3-CHLOROPHENYL)-5-{[(4-NITROPHENYL)FORMAMIDO]METHYL}-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDO)-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, diethyl 5-({[(4-(3-chlorophenyl)-5-{[(4-nitrobenzoyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-(2-((4-(3-chlorophenyl)-5-((4-nitrobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C29H27ClN6O8S2 |
|---|---|
| Molecular Weight | 686.10 g/mol |
| LogP | 5.21302 |
| Topological Polar Surface Area | 184.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 686.10205 |
| Heavy Atoms | 46 |
| Complexity | 1790.4855 |
Chemical Identifiers
| CAS Number | 393849-25-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
F0520-0285 (CAS 393849-25-7), with molecular formula C29H27ClN6O8S2 and molecular weight 686.10 g/mol. IUPAC: diethyl 5-[[2-[[4-(3-chlorophenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of F0520-0285
Property Insights of F0520-0285
The XLogP value of 5.21302 indicates that F0520-0285 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.65 Ų indicates high polarity, suggesting F0520-0285 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0520-0285 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0520-0285?
The CAS number of F0520-0285 is 393849-25-7.
What is the molecular formula of F0520-0285?
The molecular formula of F0520-0285 is C29H27ClN6O8S2.
What is the molecular weight of F0520-0285?
The molecular weight of F0520-0285 is 686.10 g/mol.
Where can I buy F0520-0285?
You can request a quote for F0520-0285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0520-0285?
Yes, KEHONG BIO provides custom synthesis services for F0520-0285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.