BAS 00861780
TL;DR: BAS 00861780 (CAS 332043-68-2) is a chemical compound with molecular formula C26H26N2O3 and molecular weight 414.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone
Also Known As: BAS 00861780, (3-nitrophenyl)(2,2,4,6-tetramethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)methanone, (3-nitrophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone, 1-{3-nitrobenzoyl}-2,2,4,6-tetramethyl-4-phenyl-1,2,3,4-tetrahydroquinoline, 2,2,4,6-TETRAMETHYL-1-(3-NITROBENZOYL)-4-PHENYL-1,2,3,4-TETRAHYDROQUINOLINE
| Molecular Formula | C26H26N2O3 |
|---|---|
| Molecular Weight | 414.19 g/mol |
| LogP | 6.03832 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.19434 |
| Heavy Atoms | 31 |
| Complexity | 1170.2794 |
Chemical Identifiers
| CAS Number | 332043-68-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(CC2(C)C3=CC=CC=C3)(C)C)C(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
BAS 00861780 (CAS 332043-68-2), with molecular formula C26H26N2O3 and molecular weight 414.19 g/mol. IUPAC: (3-nitrophenyl)-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone.
Chemical Property Profile of BAS 00861780
Property Insights of BAS 00861780
The XLogP value of 6.03832 indicates that BAS 00861780 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00861780. Following Lipinski's Rule of Five, BAS 00861780 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00861780?
The CAS number of BAS 00861780 is 332043-68-2.
What is the molecular formula of BAS 00861780?
The molecular formula of BAS 00861780 is C26H26N2O3.
What is the molecular weight of BAS 00861780?
The molecular weight of BAS 00861780 is 414.19 g/mol.
Where can I buy BAS 00861780?
You can request a quote for BAS 00861780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00861780?
Yes, KEHONG BIO provides custom synthesis services for BAS 00861780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.