F3120-0042
TL;DR: F3120-0042 (CAS 370574-36-0) is a chemical compound with molecular formula C22H18ClFN2O3S and molecular weight 444.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-2-[(4-chlorophenyl)sulfanylmethyl]-5-cyano-4-(2-fluorophenyl)-4H-pyran-3-carboxylate
Also Known As: F3120-0042, ethyl 6-amino-2-{[(4-chlorophenyl)sulfanyl]methyl}-5-cyano-4-(2-fluorophenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-2-(((4-chlorophenyl)thio)methyl)-5-cyano-4-(2-fluorophenyl)-4H-pyran-3-carboxylate, Ethyl 6-amino-2-[(4-chlorophenyl)sulfanylmethyl]-5-cyano-4-(2-fluorophenyl)-4H-pyran-3-carboxylate, ethyl 6-amino-2-[(4-chlorophenylthio)methyl]-5-cyano-4-(2-fluorophenyl)-4H-pyr an-3-carboxylate
| Molecular Formula | C22H18ClFN2O3S |
|---|---|
| Molecular Weight | 444.07 g/mol |
| LogP | 4.89628 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.07108 |
| Heavy Atoms | 30 |
| Complexity | 1060.7975 |
Chemical Identifiers
| CAS Number | 370574-36-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=CC=C(C=C3)Cl |
Product Overview
F3120-0042 (CAS 370574-36-0), with molecular formula C22H18ClFN2O3S and molecular weight 444.07 g/mol. IUPAC: ethyl 6-amino-2-[(4-chlorophenyl)sulfanylmethyl]-5-cyano-4-(2-fluorophenyl)-4H-pyran-3-carboxylate.
Chemical Property Profile of F3120-0042
Property Insights of F3120-0042
The XLogP value of 4.89628 indicates that F3120-0042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for F3120-0042. Following Lipinski's Rule of Five, F3120-0042 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 F3120-0042?
The CAS number of F3120-0042 is 370574-36-0.
What is the molecular formula of F3120-0042?
The molecular formula of F3120-0042 is C22H18ClFN2O3S.
What is the molecular weight of F3120-0042?
The molecular weight of F3120-0042 is 444.07 g/mol.
Where can I buy F3120-0042?
You can request a quote for F3120-0042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3120-0042?
Yes, KEHONG BIO provides custom synthesis services for F3120-0042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.