alpha-Narcotinediol
TL;DR: alpha-Narcotinediol (CAS 23942-99-6) is a chemical compound with molecular formula C22H27NO7 and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol
Also Known As: Narcotinediol, alpha-Narcotinediol, (-)-alpha-Narcotinediol, (-)-, A-Narcotinediol
| Molecular Formula | C22H27NO7 |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.17874 |
| Heavy Atoms | 30 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 23942-99-6 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1C(C4=C(C(=C(C=C4)OC)OC)CO)O)OC)OCO3 |
| InChIKey | BHLLOBXLOWXZDQ-UHFFFAOYSA-N |
Product Overview
alpha-Narcotinediol (CAS 23942-99-6), with molecular formula C22H27NO7 and molecular weight 417.18 g/mol. IUPAC: [2-(hydroxymethyl)-3,4-dimethoxyphenyl]-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol.
Chemical Property Profile of alpha-Narcotinediol
Property Insights of alpha-Narcotinediol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Narcotinediol. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Narcotinediol. Following Lipinski's Rule of Five, alpha-Narcotinediol has 2 hydrogen bond donor(s) and 8 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-Narcotinediol?
The CAS number of alpha-Narcotinediol is 23942-99-6.
What is the molecular formula of alpha-Narcotinediol?
The molecular formula of alpha-Narcotinediol is C22H27NO7.
What is the molecular weight of alpha-Narcotinediol?
The molecular weight of alpha-Narcotinediol is 417.18 g/mol.
Where can I buy alpha-Narcotinediol?
You can request a quote for alpha-Narcotinediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Narcotinediol?
Yes, KEHONG BIO provides custom synthesis services for alpha-Narcotinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.