BAS 00801957
TL;DR: BAS 00801957 (CAS 332019-35-9) is a chemical compound with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Also Known As: BAS 00801957, (2E)-1-(6-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)-3-(4-nitrophenyl)prop-2-en-1-one, (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1(2H)-yl)-3-(4-nitrophenyl)prop-2-en-1-one, (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one, 1-(6-Methoxy-2,2,4-trimethyl-2H-quinolin-1-yl)-3-(4-nitro-phenyl)-propenone
| Molecular Formula | C22H22N2O4 |
|---|---|
| Molecular Weight | 378.16 g/mol |
| LogP | 4.8453 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.15796 |
| Heavy Atoms | 28 |
| Complexity | 988.0964 |
Chemical Identifiers
| CAS Number | 332019-35-9 |
|---|---|
| SMILES | CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])(C)C |
Product Overview
BAS 00801957 (CAS 332019-35-9), with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol. IUPAC: (E)-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of BAS 00801957
Property Insights of BAS 00801957
The XLogP value of 4.8453 indicates that BAS 00801957 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00801957. Following Lipinski's Rule of Five, BAS 00801957 has 0 hydrogen bond donor(s) and 4 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 00801957?
The CAS number of BAS 00801957 is 332019-35-9.
What is the molecular formula of BAS 00801957?
The molecular formula of BAS 00801957 is C22H22N2O4.
What is the molecular weight of BAS 00801957?
The molecular weight of BAS 00801957 is 378.16 g/mol.
Where can I buy BAS 00801957?
You can request a quote for BAS 00801957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00801957?
Yes, KEHONG BIO provides custom synthesis services for BAS 00801957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.