F1305-0406
TL;DR: F1305-0406 (CAS 496021-72-8) is a chemical compound with molecular formula C23H20N4O5S and molecular weight 464.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: F1305-0406, ethyl 2-[(2E)-2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate, (E)-ethyl 2-(2-cyano-3-(1-(4-nitrophenyl)-1H-pyrrol-2-yl)acrylamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[[(E)-2-cyano-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-({(2E)-2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]prop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C23H20N4O5S |
|---|---|
| Molecular Weight | 464.12 g/mol |
| LogP | 4.78622 |
| Topological Polar Surface Area | 127.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.11545 |
| Heavy Atoms | 33 |
| Complexity | 1295.3462 |
Chemical Identifiers
| CAS Number | 496021-72-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC=CN2C3=CC=C(C=C3)[N+](=O)[O-])/C#N |
Product Overview
F1305-0406 (CAS 496021-72-8), with molecular formula C23H20N4O5S and molecular weight 464.12 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of F1305-0406
Property Insights of F1305-0406
The XLogP value of 4.78622 indicates that F1305-0406 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.26 Ų falls within the moderate polarity range, balancing permeability and solubility for F1305-0406. Following Lipinski's Rule of Five, F1305-0406 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1305-0406?
The CAS number of F1305-0406 is 496021-72-8.
What is the molecular formula of F1305-0406?
The molecular formula of F1305-0406 is C23H20N4O5S.
What is the molecular weight of F1305-0406?
The molecular weight of F1305-0406 is 464.12 g/mol.
Where can I buy F1305-0406?
You can request a quote for F1305-0406 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1305-0406?
Yes, KEHONG BIO provides custom synthesis services for F1305-0406 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.