F1298-0026
TL;DR: F1298-0026 (CAS 864925-75-7) is a chemical compound with molecular formula C20H20N4O6S and molecular weight 444.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-carbamoyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: F1298-0026, (E)-ethyl 3-carbamoyl-2-(3-(3-nitrophenyl)acrylamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate, ethyl 3-carbamoyl-2-[(2E)-3-(3-nitrophenyl)prop-2-enamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 3-carbamoyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
| Molecular Formula | C20H20N4O6S |
|---|---|
| Molecular Weight | 444.11 g/mol |
| LogP | 2.9217 |
| Topological Polar Surface Area | 144.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.11035 |
| Heavy Atoms | 31 |
| Complexity | 1077.6176 |
Chemical Identifiers
| CAS Number | 864925-75-7 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
F1298-0026 (CAS 864925-75-7), with molecular formula C20H20N4O6S and molecular weight 444.11 g/mol. IUPAC: ethyl 3-carbamoyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of F1298-0026
Property Insights of F1298-0026
The XLogP value of 2.9217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1298-0026. The TPSA of 144.87 Ų indicates high polarity, suggesting F1298-0026 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F1298-0026 has 2 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 F1298-0026?
The CAS number of F1298-0026 is 864925-75-7.
What is the molecular formula of F1298-0026?
The molecular formula of F1298-0026 is C20H20N4O6S.
What is the molecular weight of F1298-0026?
The molecular weight of F1298-0026 is 444.11 g/mol.
Where can I buy F1298-0026?
You can request a quote for F1298-0026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1298-0026?
Yes, KEHONG BIO provides custom synthesis services for F1298-0026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.