罂粟碱
TL;DR: 罂粟碱 (CAS 58-74-2) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
罂粟碱
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
Also Known As: papaverine, Papaverin, Papanerine, Robaxapap, Papanerin
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 407.0 |
| Melting Point | 226 |
| Boiling Point | Sublimes at 135 °C |
| Density | 1.337 g/cu cm at 20 °C |
| Solubility | In water, 3.733X10-5 mg/L at 37.5 °C |
| Refractive Index | 1.625 C |
Chemical Identifiers
| CAS Number | 58-74-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC |
| InChIKey | XQYZDYMELSJDRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
罂粟碱 (CAS 58-74-2), with molecular formula C20H21NO4 and molecular weight 339.15 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline.
Chemical Property Profile of 罂粟碱
Property Insights of 罂粟碱
The XLogP value of 3.9 indicates that 罂粟碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 罂粟碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 罂粟碱 has 0 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 罂粟碱?
The CAS number of 罂粟碱 is 58-74-2.
What is the molecular formula of 罂粟碱?
The molecular formula of 罂粟碱 is C20H21NO4.
What is the molecular weight of 罂粟碱?
The molecular weight of 罂粟碱 is 339.15 g/mol.
Where can I buy 罂粟碱?
You can request a quote for 罂粟碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 罂粟碱?
Yes, KEHONG BIO provides custom synthesis services for 罂粟碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.