1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo-
TL;DR: 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo- (CAS 732291-60-0) is a chemical compound with molecular formula C13H13N3O and molecular weight 227.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(4-ethylphenyl)-2-oxo-3H-pyrrole-4-carbonitrile
Also Known As: 5-amino-1-(4-ethylphenyl)-2-oxo-3H-pyrrole-4-carbonitrile, 1H-PYRROLE-3-CARBONITRILE, 2-AMINO-1-(4-ETHYLPHENYL)-4,5-DIHYDRO-5-OXO-, 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo- (9CI)
| Molecular Formula | C13H13N3O |
|---|---|
| Molecular Weight | 227.11 g/mol |
| LogP | 1.67958 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.10587 |
| Heavy Atoms | 17 |
| Complexity | 522.5907 |
Chemical Identifiers
| CAS Number | 732291-60-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)CC(=C2N)C#N |
Product Overview
1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo- (CAS 732291-60-0), with molecular formula C13H13N3O and molecular weight 227.11 g/mol. IUPAC: 5-amino-1-(4-ethylphenyl)-2-oxo-3H-pyrrole-4-carbonitrile.
Chemical Property Profile of 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo-
Property Insights of 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo-
The XLogP value of 1.67958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo-. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo-. Following Lipinski's Rule of Five, 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo- 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 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo-?
The CAS number of 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo- is 732291-60-0.
What is the molecular formula of 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo-?
The molecular formula of 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo- is C13H13N3O.
What is the molecular weight of 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo-?
The molecular weight of 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo- is 227.11 g/mol.
Where can I buy 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo-?
You can request a quote for 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-carbonitrile, 2-amino-1-(4-ethylphenyl)-4,5-dihydro-5-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.