F3220-0098
TL;DR: F3220-0098 (CAS 577982-52-6) is a chemical compound with molecular formula C21H18N4O4S2 and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: F3220-0098, (Z)-ethyl 2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-{[(1Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[[(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-({(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C21H18N4O4S2 |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 5.54992 |
| Topological Polar Surface Area | 118.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.07693 |
| Heavy Atoms | 31 |
| Complexity | 1203.188 |
Chemical Identifiers
| CAS Number | 577982-52-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)N/C=C(/C#N)\C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
F3220-0098 (CAS 577982-52-6), with molecular formula C21H18N4O4S2 and molecular weight 454.08 g/mol. IUPAC: ethyl 2-[[(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of F3220-0098
Property Insights of F3220-0098
The XLogP value of 5.54992 indicates that F3220-0098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.15 Ų falls within the moderate polarity range, balancing permeability and solubility for F3220-0098. Following Lipinski's Rule of Five, F3220-0098 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3220-0098?
The CAS number of F3220-0098 is 577982-52-6.
What is the molecular formula of F3220-0098?
The molecular formula of F3220-0098 is C21H18N4O4S2.
What is the molecular weight of F3220-0098?
The molecular weight of F3220-0098 is 454.08 g/mol.
Where can I buy F3220-0098?
You can request a quote for F3220-0098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3220-0098?
Yes, KEHONG BIO provides custom synthesis services for F3220-0098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.