F0520-0480
TL;DR: F0520-0480 (CAS 393849-93-9) is a chemical compound with molecular formula C31H32N6O8S2 and molecular weight 680.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[2-[[4-benzyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: F0520-0480, diethyl 5-(2-((4-benzyl-5-((4-methyl-3-nitrobenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[[2-[[4-benzyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate, 2,4-DIETHYL 5-{2-[(4-BENZYL-5-{[(4-METHYL-3-NITROPHENYL)FORMAMIDO]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDO}-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE
| Molecular Formula | C31H32N6O8S2 |
|---|---|
| Molecular Weight | 680.17 g/mol |
| LogP | 4.92714 |
| Topological Polar Surface Area | 184.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 680.1723 |
| Heavy Atoms | 47 |
| Complexity | 1804.7042 |
Chemical Identifiers
| CAS Number | 393849-93-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CNC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-] |
Product Overview
F0520-0480 (CAS 393849-93-9), with molecular formula C31H32N6O8S2 and molecular weight 680.17 g/mol. IUPAC: diethyl 5-[[2-[[4-benzyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of F0520-0480
Property Insights of F0520-0480
The XLogP value of 4.92714 indicates that F0520-0480 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.65 Ų indicates high polarity, suggesting F0520-0480 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0520-0480 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 F0520-0480?
The CAS number of F0520-0480 is 393849-93-9.
What is the molecular formula of F0520-0480?
The molecular formula of F0520-0480 is C31H32N6O8S2.
What is the molecular weight of F0520-0480?
The molecular weight of F0520-0480 is 680.17 g/mol.
Where can I buy F0520-0480?
You can request a quote for F0520-0480 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0520-0480?
Yes, KEHONG BIO provides custom synthesis services for F0520-0480 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.