BAS 00329291
TL;DR: BAS 00329291 (CAS 330998-59-9) is a chemical compound with molecular formula C21H24N2O and molecular weight 320.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-N-(2-methylphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide
Also Known As: BAS 00329291, (E)-N-(o-tolyl)-2-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)acetamide, (2E)-N-(2-methylphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide, (2E)-N-(2-methylphenyl)-2-(2,3,3-trimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanamide
| Molecular Formula | C21H24N2O |
|---|---|
| Molecular Weight | 320.19 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.18887 |
| Heavy Atoms | 24 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 330998-59-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)/C=C/2\C3=CC=CC=C3CC(N2C)(C)C |
| InChIKey | FRLKGFIHEPEJQR-CPNJWEJPSA-N |
Product Overview
BAS 00329291 (CAS 330998-59-9), with molecular formula C21H24N2O and molecular weight 320.19 g/mol. IUPAC: (2E)-N-(2-methylphenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide.
Chemical Property Profile of BAS 00329291
Property Insights of BAS 00329291
The XLogP value of 4.1 indicates that BAS 00329291 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, BAS 00329291 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00329291 has 1 hydrogen bond donor(s) and 2 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 00329291?
The CAS number of BAS 00329291 is 330998-59-9.
What is the molecular formula of BAS 00329291?
The molecular formula of BAS 00329291 is C21H24N2O.
What is the molecular weight of BAS 00329291?
The molecular weight of BAS 00329291 is 320.19 g/mol.
Where can I buy BAS 00329291?
You can request a quote for BAS 00329291 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00329291?
Yes, KEHONG BIO provides custom synthesis services for BAS 00329291 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.