alpha-Hydrastine
TL;DR: alpha-Hydrastine (CAS 4370-85-8) 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.
3-(9a-methyl-4,9-dihydro-3aH-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: alpha-Hydrastine, (-)-alpha-Hydrastine, (R-(R*,R*))-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-1(3H)-isobenzofuranone, 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,R*))-, 3-(9a-methyl-4,9-dihydro-3aH-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one
| Molecular Formula | C21H21NO6 |
|---|---|
| Molecular Weight | 383.14 g/mol |
| LogP | 2.7818 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.1369 |
| Heavy Atoms | 28 |
| Complexity | 959.90717 |
Chemical Identifiers
| CAS Number | 4370-85-8 |
|---|---|
| SMILES | CC12C(CC3=C(C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)C=CN=C3)OCO2 |
Product Overview
alpha-Hydrastine (CAS 4370-85-8), with molecular formula C21H21NO6 and molecular weight 383.14 g/mol. IUPAC: 3-(9a-methyl-4,9-dihydro-3aH-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of alpha-Hydrastine
Property Insights of alpha-Hydrastine
The XLogP value of 2.7818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Hydrastine. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Hydrastine. Following Lipinski's Rule of Five, alpha-Hydrastine 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 alpha-Hydrastine?
The CAS number of alpha-Hydrastine is 4370-85-8.
What is the molecular formula of alpha-Hydrastine?
The molecular formula of alpha-Hydrastine is C21H21NO6.
What is the molecular weight of alpha-Hydrastine?
The molecular weight of alpha-Hydrastine is 383.14 g/mol.
Where can I buy alpha-Hydrastine?
You can request a quote for alpha-Hydrastine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Hydrastine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Hydrastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.