RefChem:1054549
TL;DR: RefChem:1054549 (CAS 17656-53-0) is a chemical compound with molecular formula C19H22Cl2N2O2 and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methoxy-3-methylisoquinolin-1-yl)-(3-methoxyphenyl)methanamine;dihydrochloride
Also Known As: 1-(alpha-Amino-m-methoxybenzyl)-6-methoxy-3-methylisoquinoline dihydrochloride, Isoquinoline, 1-(alpha-amino-m-methoxybenzyl)-6-methoxy-3-methyl-, dihydrochloride, 1-(6-Methoxy-3-methylisoquinolin-1-yl)-1-(3-methoxyphenyl)methanamine--hydrogen chloride (1/2), (6-methoxy-3-methylisoquinolin-1-yl)-(3-methoxyphenyl)methanamine dihydrochloride, RefChem:1054549
| Molecular Formula | C19H22Cl2N2O2 |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 4.45212 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.10583 |
| Heavy Atoms | 25 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 17656-53-0 |
|---|---|
| SMILES | CC1=CC2=C(C=CC(=C2)OC)C(=N1)C(C3=CC(=CC=C3)OC)N.Cl.Cl |
| InChIKey | YJRUZVDXGSEMPG-UHFFFAOYSA-N |
Product Overview
RefChem:1054549 (CAS 17656-53-0), with molecular formula C19H22Cl2N2O2 and molecular weight 380.11 g/mol. IUPAC: (6-methoxy-3-methylisoquinolin-1-yl)-(3-methoxyphenyl)methanamine;dihydrochloride.
Chemical Property Profile of RefChem:1054549
Property Insights of RefChem:1054549
The XLogP value of 4.45212 indicates that RefChem:1054549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, RefChem:1054549 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1054549 has 3 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 RefChem:1054549?
The CAS number of RefChem:1054549 is 17656-53-0.
What is the molecular formula of RefChem:1054549?
The molecular formula of RefChem:1054549 is C19H22Cl2N2O2.
What is the molecular weight of RefChem:1054549?
The molecular weight of RefChem:1054549 is 380.11 g/mol.
Where can I buy RefChem:1054549?
You can request a quote for RefChem:1054549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1054549?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1054549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.