BAS 00648576
TL;DR: BAS 00648576 (CAS 314052-46-5) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)phenyl] acetate
Also Known As: BAS 00648576, 4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-4-yl)phenyl acetate, [4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)phenyl] acetate, 4-(3-CYANO-2,7,7-TRIMETHYL-5-OXO-1,4,6,8-TETRAHYDROQUINOLIN-4-YL)PHENYL ACETATE, 4-(3-cyano-2,7,7-trimethyl-5-oxo-4-1,4,6,7,8-pentahydroquinolyl)phenyl acetate
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 3.73948 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 882.8264 |
Chemical Identifiers
| CAS Number | 314052-46-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC(=O)C)C#N |
Product Overview
BAS 00648576 (CAS 314052-46-5), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: [4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-4-yl)phenyl] acetate.
Chemical Property Profile of BAS 00648576
Property Insights of BAS 00648576
The XLogP value of 3.73948 indicates that BAS 00648576 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00648576. Following Lipinski's Rule of Five, BAS 00648576 has 1 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 00648576?
The CAS number of BAS 00648576 is 314052-46-5.
What is the molecular formula of BAS 00648576?
The molecular formula of BAS 00648576 is C21H22N2O3.
What is the molecular weight of BAS 00648576?
The molecular weight of BAS 00648576 is 350.16 g/mol.
Where can I buy BAS 00648576?
You can request a quote for BAS 00648576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00648576?
Yes, KEHONG BIO provides custom synthesis services for BAS 00648576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.