Deacetyl-O-demethyldiltiazem
TL;DR: Deacetyl-O-demethyldiltiazem (CAS 84903-82-2) is a chemical compound with molecular formula C19H22N2O3S and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
Also Known As: Deacetyl-O-demethyldiltiazem, O-Demethyldeacetyldiltiazem, 5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one, 5-[2-(Dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-hydroxyphenyl)-1,5-benzothiazepin-4(5H)-one, 5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one
| Molecular Formula | C19H22N2O3S |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.1351 |
| Heavy Atoms | 25 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 84903-82-2 |
|---|---|
| SMILES | CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)O |
| InChIKey | QYKYTLTVPBXRNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Deacetyl-O-demethyldiltiazem (CAS 84903-82-2), with molecular formula C19H22N2O3S and molecular weight 358.14 g/mol. IUPAC: 5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one.
Chemical Property Profile of Deacetyl-O-demethyldiltiazem
Property Insights of Deacetyl-O-demethyldiltiazem
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deacetyl-O-demethyldiltiazem. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Deacetyl-O-demethyldiltiazem. Following Lipinski's Rule of Five, Deacetyl-O-demethyldiltiazem has 2 hydrogen bond donor(s) and 5 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 Deacetyl-O-demethyldiltiazem?
The CAS number of Deacetyl-O-demethyldiltiazem is 84903-82-2.
What is the molecular formula of Deacetyl-O-demethyldiltiazem?
The molecular formula of Deacetyl-O-demethyldiltiazem is C19H22N2O3S.
What is the molecular weight of Deacetyl-O-demethyldiltiazem?
The molecular weight of Deacetyl-O-demethyldiltiazem is 358.14 g/mol.
Where can I buy Deacetyl-O-demethyldiltiazem?
You can request a quote for Deacetyl-O-demethyldiltiazem directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deacetyl-O-demethyldiltiazem?
Yes, KEHONG BIO provides custom synthesis services for Deacetyl-O-demethyldiltiazem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.