BAS 00329629
TL;DR: BAS 00329629 (CAS 331001-59-3) is a chemical compound with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(6,7-dimethoxy-2,3,3-trimethyl-4H-isoquinolin-1-ylidene)-N-(4-methylphenyl)acetamide
Also Known As: BAS 00329629, (2Z)-2-(6,7-dimethoxy-2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(4-methylphenyl)ethanamide, (2Z)-2-(6,7-dimethoxy-2,3,3-trimethyl-4H-isoquinolin-1-ylidene)-N-(4-methylphenyl)acetamide, (Z)-2-(6,7-dimethoxy-2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(p-tolyl)acetamide
| Molecular Formula | C23H28N2O3 |
|---|---|
| Molecular Weight | 380.21 g/mol |
| LogP | 4.25832 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.21 |
| Heavy Atoms | 28 |
| Complexity | 914.1898 |
Chemical Identifiers
| CAS Number | 331001-59-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)/C=C\2/C3=CC(=C(C=C3CC(N2C)(C)C)OC)OC |
Product Overview
BAS 00329629 (CAS 331001-59-3), with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol. IUPAC: (2Z)-2-(6,7-dimethoxy-2,3,3-trimethyl-4H-isoquinolin-1-ylidene)-N-(4-methylphenyl)acetamide.
Chemical Property Profile of BAS 00329629
Property Insights of BAS 00329629
The XLogP value of 4.25832 indicates that BAS 00329629 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, BAS 00329629 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00329629 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 BAS 00329629?
The CAS number of BAS 00329629 is 331001-59-3.
What is the molecular formula of BAS 00329629?
The molecular formula of BAS 00329629 is C23H28N2O3.
What is the molecular weight of BAS 00329629?
The molecular weight of BAS 00329629 is 380.21 g/mol.
Where can I buy BAS 00329629?
You can request a quote for BAS 00329629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00329629?
Yes, KEHONG BIO provides custom synthesis services for BAS 00329629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.