2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile
TL;DR: 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile (CAS 142682-93-7) is a chemical compound with molecular formula C14H10N4O and molecular weight 250.08546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-benzylideneamino]-5-methoxy-1H-pyrrole-3,4-dicarbonitrile
Also Known As: 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile, 2-(benzylideneamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile, (E)-2-(benzylideneamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile, 2-methoxy-5-[(phenylmethylene)amino]-1H-pyrrole-3,4-dicarbonitrile, 2-methoxy-5-[(phenylmethylidene)amino]-1H-pyrrole-3,4-dicarbonitrile
Technical Specifications
| Molecular Formula | C14H10N4O |
| Molecular Weight | 250.08546 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.08546 Da |
| Heavy Atoms | 19 |
| Complexity | 423.0 |
| SMILES | COC1=C(C(=C(N1)/N=C/C2=CC=CC=C2)C#N)C#N |
| InChIKey | LZFCMQGJYDDMEQ-RQZCQDPDSA-N |
Chemical Property Profile of 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile
Property Insights of 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile. Following Lipinski's Rule of Five, 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile 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
What is the CAS number of 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile?
The CAS number of 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile is 142682-93-7.
What is the molecular formula of 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile?
The molecular formula of 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile is C14H10N4O.
What is the molecular weight of 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile?
The molecular weight of 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile is 250.08546 g/mol.
Where can I buy 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile?
You can request a quote for 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(benzalamino)-5-methoxy-1H-pyrrole-3,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.