Habropetaline A
TL;DR: Habropetaline A (CAS 76372-22-0) is a chemical compound with molecular formula C24H27NO4 and molecular weight 393.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R)-7-[2-(hydroxymethyl)-4,5-dimethoxynaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Also Known As: Habropetaline A, (1R,3R)-7-[2-(hydroxymethyl)-4,5-dimethoxynaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol, 8-Isoquinolinol, 1,2,3,4-tetrahydro-7-(2-(hydroxymethyl)-4,5-dimethoxy-1-naphthalenyl)-1,3-dimethyl-, (1R,3R,7R)-, (1R)-1,2,3,4-Tetrahydro-1beta,3alpha-dimethyl-7-[4,5-dimethoxy-2-(hydroxymethyl)naphthalen-1-yl]isoquinolin-8-ol, (1R,3R)-1,3-Dimethyl-7-[2-(hydroxymethyl)-4,5-dimethoxy-1-naphthyl]-1,2,3,4-tetrahydro-8-isoquinolinol
| Molecular Formula | C24H27NO4 |
|---|---|
| Molecular Weight | 393.19 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.194 |
| Heavy Atoms | 29 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 76372-22-0 |
|---|---|
| SMILES | C[C@@H]1CC2=C([C@H](N1)C)C(=C(C=C2)C3=C4C=CC=C(C4=C(C=C3CO)OC)OC)O |
| InChIKey | UORJGZQGXAWGDM-ZIAGYGMSSA-N |
Product Overview
Habropetaline A (CAS 76372-22-0), with molecular formula C24H27NO4 and molecular weight 393.19 g/mol. IUPAC: (1R,3R)-7-[2-(hydroxymethyl)-4,5-dimethoxynaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol.
Chemical Property Profile of Habropetaline A
Property Insights of Habropetaline A
The XLogP value of 3.7 indicates that Habropetaline A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Habropetaline A. Following Lipinski's Rule of Five, Habropetaline A has 3 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 Habropetaline A?
The CAS number of Habropetaline A is 76372-22-0.
What is the molecular formula of Habropetaline A?
The molecular formula of Habropetaline A is C24H27NO4.
What is the molecular weight of Habropetaline A?
The molecular weight of Habropetaline A is 393.19 g/mol.
Where can I buy Habropetaline A?
You can request a quote for Habropetaline A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Habropetaline A?
Yes, KEHONG BIO provides custom synthesis services for Habropetaline A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.