BAS 00329300
TL;DR: BAS 00329300 (CAS 149652-16-4) is a chemical compound with molecular formula C23H23N3O3 and molecular weight 389.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]amino]benzoate
Also Known As: BAS 00329300, BIM-0028123.P001, (Z)-ethyl 4-(2-cyano-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)acetamido)benzoate, ethyl 4-[2-(3,3-dimethyl(2,3,4-trihydroisoquinolylidene))-2-cyanoacetylamino]b enzoate, ethyl 4-[[(2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]amino]benzoate
| Molecular Formula | C23H23N3O3 |
|---|---|
| Molecular Weight | 389.17 g/mol |
| LogP | 3.66098 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.17395 |
| Heavy Atoms | 29 |
| Complexity | 1014.40875 |
Chemical Identifiers
| CAS Number | 149652-16-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\2/C3=CC=CC=C3CC(N2)(C)C)/C#N |
Product Overview
BAS 00329300 (CAS 149652-16-4), with molecular formula C23H23N3O3 and molecular weight 389.17 g/mol. IUPAC: ethyl 4-[[(2Z)-2-cyano-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]amino]benzoate.
Chemical Property Profile of BAS 00329300
Property Insights of BAS 00329300
The XLogP value of 3.66098 indicates that BAS 00329300 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00329300. Following Lipinski's Rule of Five, BAS 00329300 has 2 hydrogen bond donor(s) and 5 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 00329300?
The CAS number of BAS 00329300 is 149652-16-4.
What is the molecular formula of BAS 00329300?
The molecular formula of BAS 00329300 is C23H23N3O3.
What is the molecular weight of BAS 00329300?
The molecular weight of BAS 00329300 is 389.17 g/mol.
Where can I buy BAS 00329300?
You can request a quote for BAS 00329300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00329300?
Yes, KEHONG BIO provides custom synthesis services for BAS 00329300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.