Drotaverin hydrochloride
TL;DR: Drotaverin hydrochloride (CAS 985-12-6) is a chemical compound with molecular formula C24H32ClNO4 and molecular weight 433.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline;hydrochloride
Also Known As: drotaverine, DROTAVERINE HYDROCHLORIDE, Drotin, Tetraspasmin-Lefa, Drotaverin HCl
| Molecular Formula | C24H32ClNO4 |
|---|---|
| Molecular Weight | 433.20 g/mol |
| LogP | 5.35 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.202 |
| Heavy Atoms | 30 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 985-12-6 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.Cl |
| InChIKey | JBFLYOLJRKJYNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Drotaverin hydrochloride (CAS 985-12-6), with molecular formula C24H32ClNO4 and molecular weight 433.20 g/mol. IUPAC: 1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline;hydrochloride.
Chemical Property Profile of Drotaverin hydrochloride
Property Insights of Drotaverin hydrochloride
The XLogP value of 5.35 indicates that Drotaverin hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.0 Ų, Drotaverin hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Drotaverin hydrochloride has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Drotaverin hydrochloride?
The CAS number of Drotaverin hydrochloride is 985-12-6.
What is the molecular formula of Drotaverin hydrochloride?
The molecular formula of Drotaverin hydrochloride is C24H32ClNO4.
What is the molecular weight of Drotaverin hydrochloride?
The molecular weight of Drotaverin hydrochloride is 433.20 g/mol.
Where can I buy Drotaverin hydrochloride?
You can request a quote for Drotaverin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Drotaverin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Drotaverin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.