BAS 00655666
TL;DR: BAS 00655666 (CAS 331870-69-0) is a chemical compound with molecular formula C29H31N3O4 and molecular weight 485.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-hexanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(4-nitrophenyl)benzamide
Also Known As: BAS 00655666, N-(1-hexanoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-(4-nitrophenyl)benzamide, N-(1-hexanoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-{4-nitrophenyl}benzamide, N-(1-hexanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(4-nitrophenyl)benzamide
| Molecular Formula | C29H31N3O4 |
|---|---|
| Molecular Weight | 485.23 g/mol |
| LogP | 6.6884 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.23145 |
| Heavy Atoms | 36 |
| Complexity | 1226.7814 |
Chemical Identifiers
| CAS Number | 331870-69-0 |
|---|---|
| SMILES | CCCCCC(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4)C |
Product Overview
BAS 00655666 (CAS 331870-69-0), with molecular formula C29H31N3O4 and molecular weight 485.23 g/mol. IUPAC: N-(1-hexanoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(4-nitrophenyl)benzamide.
Chemical Property Profile of BAS 00655666
Property Insights of BAS 00655666
The XLogP value of 6.6884 indicates that BAS 00655666 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 00655666. Following Lipinski's Rule of Five, BAS 00655666 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 00655666?
The CAS number of BAS 00655666 is 331870-69-0.
What is the molecular formula of BAS 00655666?
The molecular formula of BAS 00655666 is C29H31N3O4.
What is the molecular weight of BAS 00655666?
The molecular weight of BAS 00655666 is 485.23 g/mol.
Where can I buy BAS 00655666?
You can request a quote for BAS 00655666 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00655666?
Yes, KEHONG BIO provides custom synthesis services for BAS 00655666 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.