Hemirepanduline
TL;DR: Hemirepanduline (CAS 16767-25-2) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-1-[(4-methoxyphenyl)methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol
Also Known As: Hemirepanduline, 1,2,3,4-Tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2,8-dimethyl-7-isoquinolinol, 6-methoxy-1-[(4-methoxyphenyl)methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol, 7-Isoquinolinol, 1,2,3,4-tetrahydro-6-methoxy-1-[(4-methoxyphenyl)methyl]-2,8-dimethyl-, 6-Methoxy-1-(4-methoxybenzyl)-2,8-dimethyl-1,2,3,4-tetrahydro-7-isoquinolinol #
| Molecular Formula | C20H25NO3 |
|---|---|
| Molecular Weight | 327.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.18344 |
| Heavy Atoms | 24 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 16767-25-2 |
|---|---|
| SMILES | CC1=C2C(N(CCC2=CC(=C1O)OC)C)CC3=CC=C(C=C3)OC |
| InChIKey | KLVDJUCERSCQAG-UHFFFAOYSA-N |
Product Overview
Hemirepanduline (CAS 16767-25-2), with molecular formula C20H25NO3 and molecular weight 327.18 g/mol. IUPAC: 6-methoxy-1-[(4-methoxyphenyl)methyl]-2,8-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol.
Chemical Property Profile of Hemirepanduline
Property Insights of Hemirepanduline
The XLogP value of 3.7 indicates that Hemirepanduline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, Hemirepanduline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hemirepanduline has 1 hydrogen bond donor(s) and 4 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 Hemirepanduline?
The CAS number of Hemirepanduline is 16767-25-2.
What is the molecular formula of Hemirepanduline?
The molecular formula of Hemirepanduline is C20H25NO3.
What is the molecular weight of Hemirepanduline?
The molecular weight of Hemirepanduline is 327.18 g/mol.
Where can I buy Hemirepanduline?
You can request a quote for Hemirepanduline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hemirepanduline?
Yes, KEHONG BIO provides custom synthesis services for Hemirepanduline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.