8-Chlorodiltiazem
TL;DR: 8-Chlorodiltiazem (CAS 111659-76-8) is a chemical compound with molecular formula C22H25ClN2O4S and molecular weight 448.12234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[8-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Also Known As: 8-Chlorodiltiazem, CLENTIAZEM MALEATE, Clentiazem [Non stereospecific], TA 3090, [8-chloro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H25ClN2O4S |
| Molecular Weight | 448.12234 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.12234 Da |
| Heavy Atoms | 30 |
| Complexity | 600.0 |
| SMILES | CC(=O)OC1C(SC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC |
| InChIKey | GYKFWCDBQAFCLJ-UHFFFAOYSA-N |
Chemical Property Profile of 8-Chlorodiltiazem
Property Insights of 8-Chlorodiltiazem
The XLogP value of 3.7 indicates that 8-Chlorodiltiazem is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Chlorodiltiazem. Following Lipinski's Rule of Five, 8-Chlorodiltiazem has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8-Chlorodiltiazem?
The CAS number of 8-Chlorodiltiazem is 111659-76-8.
What is the molecular formula of 8-Chlorodiltiazem?
The molecular formula of 8-Chlorodiltiazem is C22H25ClN2O4S.
What is the molecular weight of 8-Chlorodiltiazem?
The molecular weight of 8-Chlorodiltiazem is 448.12234 g/mol.
Where can I buy 8-Chlorodiltiazem?
You can request a quote for 8-Chlorodiltiazem directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Chlorodiltiazem?
Yes, CoreyChem provides custom synthesis services for 8-Chlorodiltiazem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.