2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile
TL;DR: 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile (CAS 124476-79-5) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(4-methoxyphenyl)-2-oxo-3H-pyrrole-4-carbonitrile
Also Known As: methylmagnesiumbromide, 2-amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile, 2-Amino-1-(4-methoxy-phenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile, 5-amino-1-(4-methoxyphenyl)-2-oxo-3H-pyrrole-4-carbonitrile, J1.589.945J
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 1.12578 |
| Topological Polar Surface Area | 79.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 525.6769 |
Chemical Identifiers
| CAS Number | 124476-79-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)CC(=C2N)C#N |
Product Overview
2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile (CAS 124476-79-5), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: 5-amino-1-(4-methoxyphenyl)-2-oxo-3H-pyrrole-4-carbonitrile.
Chemical Property Profile of 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile
Property Insights of 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile
The XLogP value of 1.12578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile. The TPSA of 79.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile 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 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile?
The CAS number of 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile is 124476-79-5.
What is the molecular formula of 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile?
The molecular formula of 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile is C12H11N3O2.
What is the molecular weight of 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile?
The molecular weight of 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile is 229.09 g/mol.
Where can I buy 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile?
You can request a quote for 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.