PD 122860
TL;DR: PD 122860 (CAS 122576-86-7) is a chemical compound with molecular formula C23H20F3N3O4S and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-methyl-2-(pyridin-4-ylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
Also Known As: Ethyl 5-cyano-1,4-dihydro-6-methyl-2-((4-pyridinylsulfonyl)methyl)-4-(2-(trifluoromethyl)phenyl)-3-pyridinecarboxylate, 3-Pyridinecarboxylicacid,5-cyano-1,4-dihydro-6-methyl-2-[(4-pyridinylsulfonyl)methyl]-4-[2-(trifluoromethyl)phenyl]-,ethyl ester, ethyl 5-cyano-6-methyl-2-(pyridin-4-ylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 5-cyano-1,4-dihydro-6-methyl-2-((4-pyridinylsulfonyl)methyl)-4-(2-(trifluoromethyl)phenyl)-, ethyl ester, (+-)-, Ethyl 5-cyano-6-methyl-2-((pyridin-4-ylsulfonyl)methyl)-4-(2-(trifluoromethyl)phenyl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C23H20F3N3O4S |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.11267 |
| Heavy Atoms | 34 |
| Complexity | 999.0 |
Chemical Identifiers
| CAS Number | 122576-86-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C#N)C)CS(=O)(=O)C3=CC=NC=C3 |
| InChIKey | ZUAWKQNJMCYABQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PD 122860 (CAS 122576-86-7), with molecular formula C23H20F3N3O4S and molecular weight 491.11 g/mol. IUPAC: ethyl 5-cyano-6-methyl-2-(pyridin-4-ylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of PD 122860
Property Insights of PD 122860
The XLogP value of 3.0 indicates that PD 122860 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PD 122860. Following Lipinski's Rule of Five, PD 122860 has 1 hydrogen bond donor(s) and 10 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 PD 122860?
The CAS number of PD 122860 is 122576-86-7.
What is the molecular formula of PD 122860?
The molecular formula of PD 122860 is C23H20F3N3O4S.
What is the molecular weight of PD 122860?
The molecular weight of PD 122860 is 491.11 g/mol.
Where can I buy PD 122860?
You can request a quote for PD 122860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PD 122860?
Yes, KEHONG BIO provides custom synthesis services for PD 122860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.