F1109-0073
TL;DR: F1109-0073 (CAS 442556-34-5) is a chemical compound with molecular formula C20H21N3O3S and molecular weight 383.13 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-5-cyano-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: F1109-0073, 6-Carbamoylmethylsulfanyl-5-cyano-2-methyl-4-p-tolyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester, allyl 6-((2-amino-2-oxoethyl)thio)-5-cyano-2-methyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylate, PROP-2-EN-1-YL 6-[(CARBAMOYLMETHYL)SULFANYL]-5-CYANO-2-METHYL-4-(4-METHYLPHENYL)-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C20H21N3O3S |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 2.6387 |
| Topological Polar Surface Area | 105.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.13037 |
| Heavy Atoms | 27 |
| Complexity | 863.4533 |
Chemical Identifiers
| CAS Number | 442556-34-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OCC=C)C)SCC(=O)N)C#N |
Product Overview
F1109-0073 (CAS 442556-34-5), with molecular formula C20H21N3O3S and molecular weight 383.13 g/mol. IUPAC: prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of F1109-0073
Property Insights of F1109-0073
The XLogP value of 2.6387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1109-0073. The TPSA of 105.21 Ų falls within the moderate polarity range, balancing permeability and solubility for F1109-0073. Following Lipinski's Rule of Five, F1109-0073 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 F1109-0073?
The CAS number of F1109-0073 is 442556-34-5.
What is the molecular formula of F1109-0073?
The molecular formula of F1109-0073 is C20H21N3O3S.
What is the molecular weight of F1109-0073?
The molecular weight of F1109-0073 is 383.13 g/mol.
Where can I buy F1109-0073?
You can request a quote for F1109-0073 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1109-0073?
Yes, KEHONG BIO provides custom synthesis services for F1109-0073 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.