Dilazep hydrochloride
TL;DR: Dilazep hydrochloride (CAS 20153-98-4) is a chemical compound with molecular formula C31H46Cl2N2O10 and molecular weight 676.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepane-1,4-diium-1-yl]propyl 3,4,5-trimethoxybenzoate dichloride
Also Known As: dilazep hydrochloride, Cormelian, Comelian, Labitan, Dilazep dihydrochloride
| Molecular Formula | C31H46Cl2N2O10 |
|---|---|
| Molecular Weight | 676.25 g/mol |
| LogP | -5.29 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 676.2529 |
| Heavy Atoms | 45 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 20153-98-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCC[NH+]2CCC[NH+](CC2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC.[Cl-].[Cl-] |
| InChIKey | VILIWRRWAWKXRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dilazep hydrochloride (CAS 20153-98-4), with molecular formula C31H46Cl2N2O10 and molecular weight 676.25 g/mol. IUPAC: 3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepane-1,4-diium-1-yl]propyl 3,4,5-trimethoxybenzoate dichloride.
Chemical Property Profile of Dilazep hydrochloride
Property Insights of Dilazep hydrochloride
The XLogP value of -5.29 indicates that Dilazep hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dilazep hydrochloride. Following Lipinski's Rule of Five, Dilazep hydrochloride has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dilazep hydrochloride?
The CAS number of Dilazep hydrochloride is 20153-98-4.
What is the molecular formula of Dilazep hydrochloride?
The molecular formula of Dilazep hydrochloride is C31H46Cl2N2O10.
What is the molecular weight of Dilazep hydrochloride?
The molecular weight of Dilazep hydrochloride is 676.25 g/mol.
Where can I buy Dilazep hydrochloride?
You can request a quote for Dilazep hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dilazep hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Dilazep hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.