BAS 00655653
TL;DR: BAS 00655653 (CAS 331870-56-5) is a chemical compound with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-(4-nitrophenyl)benzamide
Also Known As: BAS 00655653, N-(1-isobutyryl-2-methyl-1,2,3,4-tetrahydro-4-quinolinyl)-N-(4-nitrophenyl)benzamide, N-(1-isobutyryl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-(4-nitrophenyl)benzamide, N-[2-methyl-1-(2-methylpropanoyl)(4-1,2,3,4-tetrahydroquinolyl)]-N-(4-nitrophe nyl)benzamide, N-[2-methyl-1-(2-methylpropanoyl)-1,2,3,4-tetrahydroquinolin-4-yl]-N-(4-nitrophenyl)benzamide
| Molecular Formula | C27H27N3O4 |
|---|---|
| Molecular Weight | 457.20 g/mol |
| LogP | 5.7641 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.20016 |
| Heavy Atoms | 34 |
| Complexity | 1208.0596 |
Chemical Identifiers
| CAS Number | 331870-56-5 |
|---|---|
| SMILES | CC1CC(C2=CC=CC=C2N1C(=O)C(C)C)N(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4 |
Product Overview
BAS 00655653 (CAS 331870-56-5), with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol. IUPAC: N-[2-methyl-1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-(4-nitrophenyl)benzamide.
Chemical Property Profile of BAS 00655653
Property Insights of BAS 00655653
The XLogP value of 5.7641 indicates that BAS 00655653 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00655653. Following Lipinski's Rule of Five, BAS 00655653 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00655653?
The CAS number of BAS 00655653 is 331870-56-5.
What is the molecular formula of BAS 00655653?
The molecular formula of BAS 00655653 is C27H27N3O4.
What is the molecular weight of BAS 00655653?
The molecular weight of BAS 00655653 is 457.20 g/mol.
Where can I buy BAS 00655653?
You can request a quote for BAS 00655653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00655653?
Yes, KEHONG BIO provides custom synthesis services for BAS 00655653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.