4-(Benzylamino)-3-ethylfuran-2(5H)-one
TL;DR: 4-(Benzylamino)-3-ethylfuran-2(5H)-one (CAS 501653-21-0) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-4-ethyl-2H-furan-5-one
Also Known As: 4-(Benzylamino)-3-ethylfuran-2(5H)-one, 3-(benzylamino)-4-ethyl-2H-furan-5-one, 2(5H)-Furanone, 3-ethyl-4-[(phenylmethyl)amino]- (9CI)
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 501653-21-0 |
|---|---|
| SMILES | CCC1=C(COC1=O)NCC2=CC=CC=C2 |
| InChIKey | SQFXRXGZAJMSMJ-UHFFFAOYSA-N |
Product Overview
4-(Benzylamino)-3-ethylfuran-2(5H)-one (CAS 501653-21-0), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 3-(benzylamino)-4-ethyl-2H-furan-5-one.
Chemical Property Profile of 4-(Benzylamino)-3-ethylfuran-2(5H)-one
Property Insights of 4-(Benzylamino)-3-ethylfuran-2(5H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzylamino)-3-ethylfuran-2(5H)-one. With a topological polar surface area (TPSA) of 38.3 Ų, 4-(Benzylamino)-3-ethylfuran-2(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzylamino)-3-ethylfuran-2(5H)-one has 1 hydrogen bond donor(s) and 3 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 4-(Benzylamino)-3-ethylfuran-2(5H)-one?
The CAS number of 4-(Benzylamino)-3-ethylfuran-2(5H)-one is 501653-21-0.
What is the molecular formula of 4-(Benzylamino)-3-ethylfuran-2(5H)-one?
The molecular formula of 4-(Benzylamino)-3-ethylfuran-2(5H)-one is C13H15NO2.
What is the molecular weight of 4-(Benzylamino)-3-ethylfuran-2(5H)-one?
The molecular weight of 4-(Benzylamino)-3-ethylfuran-2(5H)-one is 217.11 g/mol.
Where can I buy 4-(Benzylamino)-3-ethylfuran-2(5H)-one?
You can request a quote for 4-(Benzylamino)-3-ethylfuran-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzylamino)-3-ethylfuran-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylamino)-3-ethylfuran-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.