ISOQUINOLINE DERIVATIVE PA-082
TL;DR: ISOQUINOLINE DERIVATIVE PA-082 (CAS 95520-87-9) is a chemical compound with molecular formula C33H38N2O5 and molecular weight 542.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]isoquinoline
Also Known As: ISOQUINOLINE DERIVATIVE PA-082, 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE, 1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-4-[4-(2-methoxy-phenyl)-piperidin-1-ylmethyl]-iso-quinoline, Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-4-((4-(2-methoxyphenyl)-1-piperidinyl)methyl)-, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]isoquinoline
| Molecular Formula | C33H38N2O5 |
|---|---|
| Molecular Weight | 542.28 g/mol |
| LogP | 6.2482 |
| Topological Polar Surface Area | 62.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 542.2781 |
| Heavy Atoms | 40 |
| Complexity | 1463.1924 |
Chemical Identifiers
| CAS Number | 95520-87-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OC)CN4CCC(CC4)C5=CC=CC=C5OC)OC |
Product Overview
ISOQUINOLINE DERIVATIVE PA-082 (CAS 95520-87-9), with molecular formula C33H38N2O5 and molecular weight 542.28 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]isoquinoline.
Chemical Property Profile of ISOQUINOLINE DERIVATIVE PA-082
Property Insights of ISOQUINOLINE DERIVATIVE PA-082
The XLogP value of 6.2482 indicates that ISOQUINOLINE DERIVATIVE PA-082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ISOQUINOLINE DERIVATIVE PA-082. Following Lipinski's Rule of Five, ISOQUINOLINE DERIVATIVE PA-082 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ISOQUINOLINE DERIVATIVE PA-082?
The CAS number of ISOQUINOLINE DERIVATIVE PA-082 is 95520-87-9.
What is the molecular formula of ISOQUINOLINE DERIVATIVE PA-082?
The molecular formula of ISOQUINOLINE DERIVATIVE PA-082 is C33H38N2O5.
What is the molecular weight of ISOQUINOLINE DERIVATIVE PA-082?
The molecular weight of ISOQUINOLINE DERIVATIVE PA-082 is 542.28 g/mol.
Where can I buy ISOQUINOLINE DERIVATIVE PA-082?
You can request a quote for ISOQUINOLINE DERIVATIVE PA-082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ISOQUINOLINE DERIVATIVE PA-082?
Yes, KEHONG BIO provides custom synthesis services for ISOQUINOLINE DERIVATIVE PA-082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.