BAS 00329303
TL;DR: BAS 00329303 (CAS 5674-80-6) is a chemical compound with molecular formula C20H19N3O and molecular weight 317.15 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-phenylacetamide
Also Known As: BAS 00329303, BIM-0027787.P001, 2-(3,3-dimethyl(2,3,4-trihydroisoquinolylidene))-2-cyano-N-phenylacetamide, (2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-phenylacetamide, (2Z)-2-cyano-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-phenylethanamide
| Molecular Formula | C20H19N3O |
|---|---|
| Molecular Weight | 317.15 g/mol |
| LogP | 3.48428 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.1528 |
| Heavy Atoms | 24 |
| Complexity | 844.68774 |
Chemical Identifiers
| CAS Number | 5674-80-6 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2/C(=C(\C#N)/C(=O)NC3=CC=CC=C3)/N1)C |
Product Overview
BAS 00329303 (CAS 5674-80-6), with molecular formula C20H19N3O and molecular weight 317.15 g/mol. IUPAC: (2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-phenylacetamide.
Chemical Property Profile of BAS 00329303
Property Insights of BAS 00329303
The XLogP value of 3.48428 indicates that BAS 00329303 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 00329303. Following Lipinski's Rule of Five, BAS 00329303 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 00329303?
The CAS number of BAS 00329303 is 5674-80-6.
What is the molecular formula of BAS 00329303?
The molecular formula of BAS 00329303 is C20H19N3O.
What is the molecular weight of BAS 00329303?
The molecular weight of BAS 00329303 is 317.15 g/mol.
Where can I buy BAS 00329303?
You can request a quote for BAS 00329303 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00329303?
Yes, KEHONG BIO provides custom synthesis services for BAS 00329303 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.