1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one
TL;DR: 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one (CAS 877796-87-7) is a chemical compound with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-nitro-4-(prop-2-enylamino)quinolin-2-one
Also Known As: 1-ethyl-3-nitro-4-(prop-2-enylamino)quinolin-2-one, 4-(allylamino)-1-ethyl-3-nitroquinolin-2(1H)-one, 1-ethyl-3-nitro-4-(prop-2-enylamino)hydroquinolin-2-one, 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one
| Molecular Formula | C14H15N3O3 |
|---|---|
| Molecular Weight | 273.11 g/mol |
| LogP | 2.5275 |
| Topological Polar Surface Area | 77.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.11133 |
| Heavy Atoms | 20 |
| Complexity | 734.25696 |
Chemical Identifiers
| CAS Number | 877796-87-7 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])NCC=C |
Product Overview
1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one (CAS 877796-87-7), with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol. IUPAC: 1-ethyl-3-nitro-4-(prop-2-enylamino)quinolin-2-one.
Chemical Property Profile of 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one
Property Insights of 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one
The XLogP value of 2.5275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one. The TPSA of 77.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one. Following Lipinski's Rule of Five, 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one has 1 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 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one?
The CAS number of 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one is 877796-87-7.
What is the molecular formula of 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one?
The molecular formula of 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one is C14H15N3O3.
What is the molecular weight of 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one?
The molecular weight of 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one is 273.11 g/mol.
Where can I buy 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one?
You can request a quote for 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-3-nitro-4-(prop-2-en-1-ylamino)quinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.