3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione
TL;DR: 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione (CAS 607692-36-4) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-1-ethylpyrrole-2,5-dione
Also Known As: 3-(benzylamino)-1-ethylpyrrole-2,5-dione, 3-(benzylamino)-1-ethyl-pyrrole-2,5-dione, 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione, 1H-PYRROLE-2,5-DIONE, 1-ETHYL-3-[(PHENYLMETHYL)AMINO]-, 1H-Pyrrole-2,5-dione, 1-ethyl-3-[(phenylmethyl)amino]- (9CI)
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 1.0488 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 465.56763 |
Chemical Identifiers
| CAS Number | 607692-36-4 |
|---|---|
| SMILES | CCN1C(=O)C=C(C1=O)NCC2=CC=CC=C2 |
Product Overview
3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione (CAS 607692-36-4), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: 3-(benzylamino)-1-ethylpyrrole-2,5-dione.
Chemical Property Profile of 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione
Property Insights of 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione
The XLogP value of 1.0488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione 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 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione?
The CAS number of 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione is 607692-36-4.
What is the molecular formula of 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione?
The molecular formula of 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione is C13H14N2O2.
What is the molecular weight of 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione?
The molecular weight of 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione is 230.11 g/mol.
Where can I buy 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione?
You can request a quote for 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylamino)-1-ethyl-1H-pyrrole-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.