1,1-Dimethyl-1H-naphthalin-2-on
TL;DR: 1,1-Dimethyl-1H-naphthalin-2-on (CAS 23230-75-3) is a chemical compound with molecular formula C17H20ClNO4 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride
Also Known As: 1,1-Dimethyl-1H-naphthalin-2-on, 4-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol Hydrochloride, 4-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol hydrochloride, 4-(4-Hydroxy-3-methoxy-phenyl)-6-methoxy-1,2,3,4-tetrahydro-isoquinolin-7-ol; hydrochloride
| Molecular Formula | C17H20ClNO4 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 2.7719 |
| Topological Polar Surface Area | 70.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.1081 |
| Heavy Atoms | 23 |
| Complexity | 705.233 |
Chemical Identifiers
| CAS Number | 23230-75-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2CNCC3=CC(=C(C=C23)OC)O)O.Cl |
Product Overview
1,1-Dimethyl-1H-naphthalin-2-on (CAS 23230-75-3), with molecular formula C17H20ClNO4 and molecular weight 337.11 g/mol. IUPAC: 4-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol;hydrochloride.
Chemical Property Profile of 1,1-Dimethyl-1H-naphthalin-2-on
Property Insights of 1,1-Dimethyl-1H-naphthalin-2-on
The XLogP value of 2.7719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-1H-naphthalin-2-on. The TPSA of 70.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethyl-1H-naphthalin-2-on. Following Lipinski's Rule of Five, 1,1-Dimethyl-1H-naphthalin-2-on 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 1,1-Dimethyl-1H-naphthalin-2-on?
The CAS number of 1,1-Dimethyl-1H-naphthalin-2-on is 23230-75-3.
What is the molecular formula of 1,1-Dimethyl-1H-naphthalin-2-on?
The molecular formula of 1,1-Dimethyl-1H-naphthalin-2-on is C17H20ClNO4.
What is the molecular weight of 1,1-Dimethyl-1H-naphthalin-2-on?
The molecular weight of 1,1-Dimethyl-1H-naphthalin-2-on is 337.11 g/mol.
Where can I buy 1,1-Dimethyl-1H-naphthalin-2-on?
You can request a quote for 1,1-Dimethyl-1H-naphthalin-2-on directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-1H-naphthalin-2-on?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-1H-naphthalin-2-on and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.