A3450/0146526
TL;DR: A3450/0146526 (CAS 696636-98-3) is a chemical compound with molecular formula C32H38N2O5 and molecular weight 530.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]acetamide
Also Known As: A3450/0146526, 2-(1-adamantyl)-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]acetamide, 2-(1-adamantyl)-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}acetamide, 2-(ADAMANTAN-1-YL)-N-{2-[(6,7-DIMETHOXY-1-ISOQUINOLINYL)METHYL]-4,5-DIMETHOXYPHENYL}ACETAMIDE, N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
| Molecular Formula | C32H38N2O5 |
|---|---|
| Molecular Weight | 530.28 g/mol |
| LogP | 6.405 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 530.2781 |
| Heavy Atoms | 39 |
| Complexity | 1365.7759 |
Chemical Identifiers
| CAS Number | 696636-98-3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)CC45CC6CC(C4)CC(C6)C5)OC)OC)OC |
Product Overview
A3450/0146526 (CAS 696636-98-3), with molecular formula C32H38N2O5 and molecular weight 530.28 g/mol. IUPAC: 2-(1-adamantyl)-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]acetamide.
Chemical Property Profile of A3450/0146526
Property Insights of A3450/0146526
The XLogP value of 6.405 indicates that A3450/0146526 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for A3450/0146526. Following Lipinski's Rule of Five, A3450/0146526 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3450/0146526?
The CAS number of A3450/0146526 is 696636-98-3.
What is the molecular formula of A3450/0146526?
The molecular formula of A3450/0146526 is C32H38N2O5.
What is the molecular weight of A3450/0146526?
The molecular weight of A3450/0146526 is 530.28 g/mol.
Where can I buy A3450/0146526?
You can request a quote for A3450/0146526 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3450/0146526?
Yes, KEHONG BIO provides custom synthesis services for A3450/0146526 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.