RefChem:221167
TL;DR: RefChem:221167 (CAS 5344-82-1) is a chemical compound with molecular formula C19H23ClN2O3S and molecular weight 394.11 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;hydrochloride
Also Known As: Deacetyl-O-demethyl Diltiazem Hydrochloride, O-desacetyl-o-desmethyl diltiazem, 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-5-(2-(dimethylamino)ethyl)-3-hydroxy-2-(p-hydroxphenyl)-, monohydrochloride, 1,5-Benzothiazepin-4(5H)-one,5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-hydroxyphenyl)-,hydrochloride (1:1), 5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one hydrochloride(1:1)
| Molecular Formula | C19H23ClN2O3S |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 2.9165 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.1118 |
| Heavy Atoms | 26 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 5344-82-1 |
|---|---|
| SMILES | CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)O.Cl |
| InChIKey | NPMHEOKYIXUNBP-UHFFFAOYSA-N |
Product Overview
RefChem:221167 (CAS 5344-82-1), with molecular formula C19H23ClN2O3S and molecular weight 394.11 g/mol. IUPAC: 5-[2-(dimethylamino)ethyl]-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride.
Chemical Property Profile of RefChem:221167
Property Insights of RefChem:221167
The XLogP value of 2.9165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:221167. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:221167. Following Lipinski's Rule of Five, RefChem:221167 has 3 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 RefChem:221167?
The CAS number of RefChem:221167 is 5344-82-1.
What is the molecular formula of RefChem:221167?
The molecular formula of RefChem:221167 is C19H23ClN2O3S.
What is the molecular weight of RefChem:221167?
The molecular weight of RefChem:221167 is 394.11 g/mol.
Where can I buy RefChem:221167?
You can request a quote for RefChem:221167 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:221167?
Yes, KEHONG BIO provides custom synthesis services for RefChem:221167 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.