BAS 00329301
TL;DR: BAS 00329301 (CAS 149652-15-3) is a chemical compound with molecular formula C22H23N3O and molecular weight 345.18 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-(2,4-dimethylphenyl)acetamide
Also Known As: BAS 00329301, (2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2,4-dimethylphenyl)acetamide, (Z)-2-cyano-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(2,4-dimethylphenyl)acetamide, 2-(3,3-dimethyl(2,3,4-trihydroisoquinolylidene))-N-(2,4-dimethylphenyl)-2-cyan oacetamide, (2Z)-2-cyano-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(2,4-dimethylphenyl)ethanamide
| Molecular Formula | C22H23N3O |
|---|---|
| Molecular Weight | 345.18 g/mol |
| LogP | 4.10112 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.1841 |
| Heavy Atoms | 26 |
| Complexity | 948.1 |
Chemical Identifiers
| CAS Number | 149652-15-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)/C(=C\2/C3=CC=CC=C3CC(N2)(C)C)/C#N)C |
Product Overview
BAS 00329301 (CAS 149652-15-3), with molecular formula C22H23N3O and molecular weight 345.18 g/mol. IUPAC: (2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2,4-dimethylphenyl)acetamide.
Chemical Property Profile of BAS 00329301
Property Insights of BAS 00329301
The XLogP value of 4.10112 indicates that BAS 00329301 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 00329301. Following Lipinski's Rule of Five, BAS 00329301 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 00329301?
The CAS number of BAS 00329301 is 149652-15-3.
What is the molecular formula of BAS 00329301?
The molecular formula of BAS 00329301 is C22H23N3O.
What is the molecular weight of BAS 00329301?
The molecular weight of BAS 00329301 is 345.18 g/mol.
Where can I buy BAS 00329301?
You can request a quote for BAS 00329301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00329301?
Yes, KEHONG BIO provides custom synthesis services for BAS 00329301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.