北美黄连碱
TL;DR: 北美黄连碱 (CAS 7400-89-7) is a chemical compound with molecular formula C21H21NO6 and molecular weight 383.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
北美黄连碱
(3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
Also Known As: beta-Hydrastine, (-)-Hydrastine, l-Hydrastine, (-)-beta-Hydrastine, Isocoryne
| Molecular Formula | C21H21NO6 |
|---|---|
| Molecular Weight | 383.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.1369 |
| Heavy Atoms | 28 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 7400-89-7 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3 |
| InChIKey | JZUTXVTYJDCMDU-MOPGFXCFSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
北美黄连碱 (CAS 7400-89-7), with molecular formula C21H21NO6 and molecular weight 383.14 g/mol. IUPAC: (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one.
Chemical Property Profile of 北美黄连碱
Property Insights of 北美黄连碱
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 北美黄连碱. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 北美黄连碱. Following Lipinski's Rule of Five, 北美黄连碱 has 0 hydrogen bond donor(s) and 7 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 北美黄连碱?
The CAS number of 北美黄连碱 is 7400-89-7.
What is the molecular formula of 北美黄连碱?
The molecular formula of 北美黄连碱 is C21H21NO6.
What is the molecular weight of 北美黄连碱?
The molecular weight of 北美黄连碱 is 383.14 g/mol.
Where can I buy 北美黄连碱?
You can request a quote for 北美黄连碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 北美黄连碱?
Yes, KEHONG BIO provides custom synthesis services for 北美黄连碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.