diltiazem
TL;DR: diltiazem (CAS 5418-23-5) is a chemical compound with molecular formula C22H27ClN2O4S and molecular weight 450.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride
Also Known As: diltiazem, Diltiazem hydrochloride, Cardizem, Diltiazem * HCl, Diltiazem-d6 HCl
| Molecular Formula | C22H27ClN2O4S |
|---|---|
| Molecular Weight | 450.14 g/mol |
| LogP | 3.7903 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.138 |
| Heavy Atoms | 30 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 5418-23-5 |
|---|---|
| SMILES | CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl |
| InChIKey | HDRXZJPWHTXQRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
diltiazem (CAS 5418-23-5), with molecular formula C22H27ClN2O4S and molecular weight 450.14 g/mol. IUPAC: [5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride.
Chemical Property Profile of diltiazem
Property Insights of diltiazem
The XLogP value of 3.7903 indicates that diltiazem 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 diltiazem. Following Lipinski's Rule of Five, diltiazem has 1 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 diltiazem?
The CAS number of diltiazem is 5418-23-5.
What is the molecular formula of diltiazem?
The molecular formula of diltiazem is C22H27ClN2O4S.
What is the molecular weight of diltiazem?
The molecular weight of diltiazem is 450.14 g/mol.
Where can I buy diltiazem?
You can request a quote for diltiazem directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diltiazem?
Yes, KEHONG BIO provides custom synthesis services for diltiazem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.