Isocrasifoline
TL;DR: Isocrasifoline (CAS 135213-48-8) is a chemical compound with molecular formula C19H23NO4 and molecular weight 329.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
Also Known As: Isocrasifoline, Isocrassifoline, (1S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol, (1S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol, (1S)-1,2,3,4-Tetrahydro-1-(4-hydroxy-3-methoxybenzyl)-7-methoxy-2-methylisoquinolin-8-ol
| Molecular Formula | C19H23NO4 |
|---|---|
| Molecular Weight | 329.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.16272 |
| Heavy Atoms | 24 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 135213-48-8 |
|---|---|
| SMILES | CN1CCC2=C([C@@H]1CC3=CC(=C(C=C3)O)OC)C(=C(C=C2)OC)O |
| InChIKey | HQWZPWYHADPXQD-AWEZNQCLSA-N |
Product Overview
Isocrasifoline (CAS 135213-48-8), with molecular formula C19H23NO4 and molecular weight 329.16 g/mol. IUPAC: (1S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol.
Chemical Property Profile of Isocrasifoline
Property Insights of Isocrasifoline
The XLogP value of 3.0 indicates that Isocrasifoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isocrasifoline. Following Lipinski's Rule of Five, Isocrasifoline has 2 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 Isocrasifoline?
The CAS number of Isocrasifoline is 135213-48-8.
What is the molecular formula of Isocrasifoline?
The molecular formula of Isocrasifoline is C19H23NO4.
What is the molecular weight of Isocrasifoline?
The molecular weight of Isocrasifoline is 329.16 g/mol.
Where can I buy Isocrasifoline?
You can request a quote for Isocrasifoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isocrasifoline?
Yes, KEHONG BIO provides custom synthesis services for Isocrasifoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.