IFLab1_004752
TL;DR: IFLab1_004752 (CAS 442556-73-2) is a chemical compound with molecular formula C24H25N3O3S and molecular weight 435.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide
Also Known As: IFLab1_004752, IDI1_010507, AB00147554-02, 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-(methylthio)-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide, F1155-0058
| Molecular Formula | C24H25N3O3S |
|---|---|
| Molecular Weight | 435.16 g/mol |
| LogP | 4.7099 |
| Topological Polar Surface Area | 83.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.16165 |
| Heavy Atoms | 31 |
| Complexity | 1115.2928 |
Chemical Identifiers
| CAS Number | 442556-73-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC(=C(C=C3)OC)OC)C#N)SC)C |
Product Overview
IFLab1_004752 (CAS 442556-73-2), with molecular formula C24H25N3O3S and molecular weight 435.16 g/mol. IUPAC: 5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of IFLab1_004752
Property Insights of IFLab1_004752
The XLogP value of 4.7099 indicates that IFLab1_004752 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.38 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004752. Following Lipinski's Rule of Five, IFLab1_004752 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 IFLab1_004752?
The CAS number of IFLab1_004752 is 442556-73-2.
What is the molecular formula of IFLab1_004752?
The molecular formula of IFLab1_004752 is C24H25N3O3S.
What is the molecular weight of IFLab1_004752?
The molecular weight of IFLab1_004752 is 435.16 g/mol.
Where can I buy IFLab1_004752?
You can request a quote for IFLab1_004752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004752?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.