猬伞藤碱
TL;DR: 猬伞藤碱 (CAS 3621-38-3) is a chemical compound with molecular formula C20H20NO4+ and molecular weight 338.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
猬伞藤碱
2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
Also Known As: Jatrorrhizine, jateorrhizine, neprotin, Yatrorizine, Neprotine
| Molecular Formula | C20H20NO4+ |
|---|---|
| Molecular Weight | 338.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.13922 |
| Heavy Atoms | 25 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 3621-38-3 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC |
| InChIKey | MXTLAHSTUOXGQF-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
猬伞藤碱 (CAS 3621-38-3), with molecular formula C20H20NO4+ and molecular weight 338.14 g/mol. IUPAC: 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol.
Chemical Property Profile of 猬伞藤碱
Property Insights of 猬伞藤碱
The XLogP value of 3.4 indicates that 猬伞藤碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 猬伞藤碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 猬伞藤碱 has 1 hydrogen bond donor(s) and 4 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 猬伞藤碱?
The CAS number of 猬伞藤碱 is 3621-38-3.
What is the molecular formula of 猬伞藤碱?
The molecular formula of 猬伞藤碱 is C20H20NO4+.
What is the molecular weight of 猬伞藤碱?
The molecular weight of 猬伞藤碱 is 338.14 g/mol.
Where can I buy 猬伞藤碱?
You can request a quote for 猬伞藤碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 猬伞藤碱?
Yes, KEHONG BIO provides custom synthesis services for 猬伞藤碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.