F2590-0848
TL;DR: F2590-0848 (CAS 896325-59-0) is a chemical compound with molecular formula C18H17ClN2O3S2 and molecular weight 408.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: F2590-0848, ethyl 5-{3-[(4-chlorophenyl)sulfanyl]propanamido}-4-cyano-3-methylthiophene-2-carboxylate, ethyl 5-(3-((4-chlorophenyl)thio)propanamido)-4-cyano-3-methylthiophene-2-carboxylate, ethyl 5-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-cyano-3-methylthiophene-2-carboxylate, ethyl 5-[3-(p-chlorophenylthio)propionylamino]-4-cyano-3-methyl-2-thenoate
| Molecular Formula | C18H17ClN2O3S2 |
|---|---|
| Molecular Weight | 408.04 g/mol |
| LogP | 4.8792 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.03693 |
| Heavy Atoms | 26 |
| Complexity | 841.3565 |
Chemical Identifiers
| CAS Number | 896325-59-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=C(C=C2)Cl)C#N)C |
Product Overview
F2590-0848 (CAS 896325-59-0), with molecular formula C18H17ClN2O3S2 and molecular weight 408.04 g/mol. IUPAC: ethyl 5-[3-(4-chlorophenyl)sulfanylpropanoylamino]-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of F2590-0848
Property Insights of F2590-0848
The XLogP value of 4.8792 indicates that F2590-0848 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for F2590-0848. Following Lipinski's Rule of Five, F2590-0848 has 1 hydrogen bond donor(s) and 6 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 F2590-0848?
The CAS number of F2590-0848 is 896325-59-0.
What is the molecular formula of F2590-0848?
The molecular formula of F2590-0848 is C18H17ClN2O3S2.
What is the molecular weight of F2590-0848?
The molecular weight of F2590-0848 is 408.04 g/mol.
Where can I buy F2590-0848?
You can request a quote for F2590-0848 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2590-0848?
Yes, KEHONG BIO provides custom synthesis services for F2590-0848 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.