F1109-0098
TL;DR: F1109-0098 (CAS 489442-76-4) is a chemical compound with molecular formula C19H18ClN3O3S and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: F1109-0098, PROP-2-EN-1-YL 6-[(CARBAMOYLMETHYL)SULFANYL]-4-(4-CHLOROPHENYL)-5-CYANO-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C19H18ClN3O3S |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 2.98368 |
| Topological Polar Surface Area | 105.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.07574 |
| Heavy Atoms | 27 |
| Complexity | 869.1812 |
Chemical Identifiers
| CAS Number | 489442-76-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=C(C=C2)Cl)C(=O)OCC=C |
Product Overview
F1109-0098 (CAS 489442-76-4), with molecular formula C19H18ClN3O3S and molecular weight 403.08 g/mol. IUPAC: prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of F1109-0098
Property Insights of F1109-0098
The XLogP value of 2.98368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1109-0098. The TPSA of 105.21 Ų falls within the moderate polarity range, balancing permeability and solubility for F1109-0098. Following Lipinski's Rule of Five, F1109-0098 has 2 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 F1109-0098?
The CAS number of F1109-0098 is 489442-76-4.
What is the molecular formula of F1109-0098?
The molecular formula of F1109-0098 is C19H18ClN3O3S.
What is the molecular weight of F1109-0098?
The molecular weight of F1109-0098 is 403.08 g/mol.
Where can I buy F1109-0098?
You can request a quote for F1109-0098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1109-0098?
Yes, KEHONG BIO provides custom synthesis services for F1109-0098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.