S 11568
TL;DR: S 11568 (CAS 132636-01-2) is a chemical compound with molecular formula C22H29Cl3N2O6 and molecular weight 522.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 5-O-methyl 2-[2-(2-aminoethoxy)ethoxymethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Also Known As: S 11568, S-11568, S-12967, S 12967, S 12968
| Molecular Formula | C22H29Cl3N2O6 |
|---|---|
| Molecular Weight | 522.11 g/mol |
| LogP | 3.3581 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 522.10913 |
| Heavy Atoms | 33 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 132636-01-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)COCCOCCN.Cl |
| InChIKey | CHEDLCOJOZRZRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S 11568 (CAS 132636-01-2), with molecular formula C22H29Cl3N2O6 and molecular weight 522.11 g/mol. IUPAC: 3-O-ethyl 5-O-methyl 2-[2-(2-aminoethoxy)ethoxymethyl]-4-(2,3-dichlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride.
Chemical Property Profile of S 11568
Property Insights of S 11568
The XLogP value of 3.3581 indicates that S 11568 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S 11568. Following Lipinski's Rule of Five, S 11568 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 S 11568?
The CAS number of S 11568 is 132636-01-2.
What is the molecular formula of S 11568?
The molecular formula of S 11568 is C22H29Cl3N2O6.
What is the molecular weight of S 11568?
The molecular weight of S 11568 is 522.11 g/mol.
Where can I buy S 11568?
You can request a quote for S 11568 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S 11568?
Yes, KEHONG BIO provides custom synthesis services for S 11568 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.