3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one
TL;DR: 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one (CAS 29331-20-2) is a chemical compound with molecular formula C25H33ClN6O2 and molecular weight 484.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-(4-chlorophenyl)-6-[5-(diethylamino)pentan-2-ylamino]pyrido[2,3-b]pyrazin-8-yl]carbamate
Also Known As: 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one, Ethyl [3-(4-chlorophenyl)-6-{[5-(diethylamino)pentan-2-yl]amino}pyrido[2,3-b]pyrazin-8-yl]carbamate, ethyl N-[3-(4-chlorophenyl)-6-[5-(diethylamino)pentan-2-ylamino]pyrido[2,3-b]pyrazin-8-yl]carbamate, Pyrido[3,4-b]pyrazine-8-carbamicacid, 3-(p-chlorophenyl)-6-[[4-(diethylamino)-1-methylbutyl]amino]-, ethylester, dihydrochloride (8CI)
| Molecular Formula | C25H33ClN6O2 |
|---|---|
| Molecular Weight | 484.24 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 484.23535 |
| Heavy Atoms | 34 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 29331-20-2 |
|---|---|
| SMILES | CCN(CC)CCCC(C)NC1=NC2=NC(=CN=C2C(=C1)NC(=O)OCC)C3=CC=C(C=C3)Cl |
| InChIKey | KCHRRYKJVVPGIO-UHFFFAOYSA-N |
Product Overview
3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one (CAS 29331-20-2), with molecular formula C25H33ClN6O2 and molecular weight 484.24 g/mol. IUPAC: ethyl N-[3-(4-chlorophenyl)-6-[5-(diethylamino)pentan-2-ylamino]pyrido[2,3-b]pyrazin-8-yl]carbamate.
Chemical Property Profile of 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one
Property Insights of 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one
The XLogP value of 4.9 indicates that 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one. Following Lipinski's Rule of Five, 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one has 2 hydrogen bond donor(s) and 7 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 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one?
The CAS number of 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one is 29331-20-2.
What is the molecular formula of 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one?
The molecular formula of 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one is C25H33ClN6O2.
What is the molecular weight of 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one?
The molecular weight of 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one is 484.24 g/mol.
Where can I buy 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one?
You can request a quote for 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-tert-Butyl-4-methoxybenzylidenyl)indolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.