F1109-0109
TL;DR: F1109-0109 (CAS 442556-46-9) is a chemical compound with molecular formula C27H26ClN3O5S and molecular weight 539.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: F1109-0109, allyl 6-((2-((5-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, PROP-2-EN-1-YL 6-({[(5-CHLORO-2-METHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-5-CYANO-4-(4-HYDROXY-3-METHOXYPHENYL)-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, prop-2-enyl 6-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 6-({2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C27H26ClN3O5S |
|---|---|
| Molecular Weight | 539.13 g/mol |
| LogP | 5.1597 |
| Topological Polar Surface Area | 120.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 539.1282 |
| Heavy Atoms | 37 |
| Complexity | 1346.0374 |
Chemical Identifiers
| CAS Number | 442556-46-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC(=C(C=C3)O)OC)C#N |
Product Overview
F1109-0109 (CAS 442556-46-9), with molecular formula C27H26ClN3O5S and molecular weight 539.13 g/mol. IUPAC: prop-2-enyl 6-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of F1109-0109
Property Insights of F1109-0109
The XLogP value of 5.1597 indicates that F1109-0109 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.68 Ų falls within the moderate polarity range, balancing permeability and solubility for F1109-0109. Following Lipinski's Rule of Five, F1109-0109 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1109-0109?
The CAS number of F1109-0109 is 442556-46-9.
What is the molecular formula of F1109-0109?
The molecular formula of F1109-0109 is C27H26ClN3O5S.
What is the molecular weight of F1109-0109?
The molecular weight of F1109-0109 is 539.13 g/mol.
Where can I buy F1109-0109?
You can request a quote for F1109-0109 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1109-0109?
Yes, KEHONG BIO provides custom synthesis services for F1109-0109 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.