F0520-2100
TL;DR: F0520-2100 (CAS 393814-66-9) is a chemical compound with molecular formula C31H32N6O9S2 and molecular weight 696.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: F0520-2100, diethyl 5-(2-((5-((4-methoxybenzamido)methyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)propanamido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate, 2,4-DIETHYL 5-{2-[(5-{[(4-METHOXYPHENYL)FORMAMIDO]METHYL}-4-(4-NITROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]PROPANAMIDO}-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE
| Molecular Formula | C31H32N6O9S2 |
|---|---|
| Molecular Weight | 696.17 g/mol |
| LogP | 4.95672 |
| Topological Polar Surface Area | 193.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 696.16724 |
| Heavy Atoms | 48 |
| Complexity | 1820.8749 |
Chemical Identifiers
| CAS Number | 393814-66-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)C4=CC=C(C=C4)OC |
Product Overview
F0520-2100 (CAS 393814-66-9), with molecular formula C31H32N6O9S2 and molecular weight 696.17 g/mol. IUPAC: diethyl 5-[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of F0520-2100
Property Insights of F0520-2100
The XLogP value of 4.95672 indicates that F0520-2100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.88 Ų indicates high polarity, suggesting F0520-2100 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0520-2100 has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0520-2100?
The CAS number of F0520-2100 is 393814-66-9.
What is the molecular formula of F0520-2100?
The molecular formula of F0520-2100 is C31H32N6O9S2.
What is the molecular weight of F0520-2100?
The molecular weight of F0520-2100 is 696.17 g/mol.
Where can I buy F0520-2100?
You can request a quote for F0520-2100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0520-2100?
Yes, KEHONG BIO provides custom synthesis services for F0520-2100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.