地尔硫䓬
TL;DR: 地尔硫䓬 (CAS 42399-41-7) is a chemical compound with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地尔硫䓬
[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Also Known As: diltiazem, d-cis-Diltiazem, Cardizem, Dilcontin, Dilticard
| Molecular Formula | C22H26N2O4S |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.16132 |
| Heavy Atoms | 29 |
| Complexity | 565.0 |
| Melting Point | 187-188 |
| Boiling Point | Decomposes |
| Solubility | 465 |
Chemical Identifiers
| CAS Number | 42399-41-7 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC |
| InChIKey | HSUGRBWQSSZJOP-RTWAWAEBSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
地尔硫䓬 (CAS 42399-41-7), with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol. IUPAC: [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate.
Chemical Property Profile of 地尔硫䓬
Property Insights of 地尔硫䓬
The XLogP value of 3.1 indicates that 地尔硫䓬 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 地尔硫䓬. Following Lipinski's Rule of Five, 地尔硫䓬 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
Frequently Asked Questions
What is the CAS number of 地尔硫䓬?
The CAS number of 地尔硫䓬 is 42399-41-7.
What is the molecular formula of 地尔硫䓬?
The molecular formula of 地尔硫䓬 is C22H26N2O4S.
What is the molecular weight of 地尔硫䓬?
The molecular weight of 地尔硫䓬 is 414.16 g/mol.
Where can I buy 地尔硫䓬?
You can request a quote for 地尔硫䓬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地尔硫䓬?
Yes, KEHONG BIO provides custom synthesis services for 地尔硫䓬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.