BAS 00329302
TL;DR: BAS 00329302 (CAS 149652-14-2) is a chemical compound with molecular formula C21H21N3O and molecular weight 331.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-methylphenyl)acetamide
Also Known As: BAS 00329302, (2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-methylphenyl)acetamide, (Z)-2-cyano-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(o-tolyl)acetamide, 2-cyano-2-(3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)-N-(2-methylphenyl)acetamide, 2-(3,3-dimethyl(2,3,4-trihydroisoquinolylidene))-2-cyano-N-(2-methylphenyl)ace tamide
| Molecular Formula | C21H21N3O |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | 3.7927 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.16846 |
| Heavy Atoms | 25 |
| Complexity | 903.35236 |
Chemical Identifiers
| CAS Number | 149652-14-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)/C(=C\2/C3=CC=CC=C3CC(N2)(C)C)/C#N |
Product Overview
BAS 00329302 (CAS 149652-14-2), with molecular formula C21H21N3O and molecular weight 331.17 g/mol. IUPAC: (2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-methylphenyl)acetamide.
Chemical Property Profile of BAS 00329302
Property Insights of BAS 00329302
The XLogP value of 3.7927 indicates that BAS 00329302 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00329302. Following Lipinski's Rule of Five, BAS 00329302 has 2 hydrogen bond donor(s) and 3 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 00329302?
The CAS number of BAS 00329302 is 149652-14-2.
What is the molecular formula of BAS 00329302?
The molecular formula of BAS 00329302 is C21H21N3O.
What is the molecular weight of BAS 00329302?
The molecular weight of BAS 00329302 is 331.17 g/mol.
Where can I buy BAS 00329302?
You can request a quote for BAS 00329302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00329302?
Yes, KEHONG BIO provides custom synthesis services for BAS 00329302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.