BAS 00416413
TL;DR: BAS 00416413 (CAS 5466-85-3) is a chemical compound with molecular formula C26H26N2O2 and molecular weight 398.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Also Known As: BAS 00416413, (E)-1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, 1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, (2E)-3-(4-methoxyphenyl)-1-[2-methyl-4-(phenylamino)(1,2,3,4-tetrahydroquinoly l)]prop-2-en-1-one, (E)-3-(4-methoxyphenyl)-1-(2-methyl-4-(phenylamino)-3,4-dihydroquinolin-1(2H)-yl)prop-2-en-1-one
| Molecular Formula | C26H26N2O2 |
|---|---|
| Molecular Weight | 398.20 g/mol |
| LogP | 5.687 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.19943 |
| Heavy Atoms | 30 |
| Complexity | 1028.414 |
Chemical Identifiers
| CAS Number | 5466-85-3 |
|---|---|
| SMILES | CC1CC(C2=CC=CC=C2N1C(=O)/C=C/C3=CC=C(C=C3)OC)NC4=CC=CC=C4 |
Product Overview
BAS 00416413 (CAS 5466-85-3), with molecular formula C26H26N2O2 and molecular weight 398.20 g/mol. IUPAC: (E)-1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of BAS 00416413
Property Insights of BAS 00416413
The XLogP value of 5.687 indicates that BAS 00416413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, BAS 00416413 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00416413 has 1 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 00416413?
The CAS number of BAS 00416413 is 5466-85-3.
What is the molecular formula of BAS 00416413?
The molecular formula of BAS 00416413 is C26H26N2O2.
What is the molecular weight of BAS 00416413?
The molecular weight of BAS 00416413 is 398.20 g/mol.
Where can I buy BAS 00416413?
You can request a quote for BAS 00416413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00416413?
Yes, KEHONG BIO provides custom synthesis services for BAS 00416413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.