1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl-
TL;DR: 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl- (CAS 87688-95-7) is a chemical compound with molecular formula C9H9N5 and molecular weight 187.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(ethylideneamino)-5-methylpyrrole-3,4-dicarbonitrile
Also Known As: NCI60_029258, 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl-, 2-amino-1-(ethylideneamino)-5-methylpyrrole-3,4-dicarbonitrile, 2-Amino-1-(ethylideneamino)-5-methyl-1H-pyrrole-3,4-dicarbonitrile
| Molecular Formula | C9H9N5 |
|---|---|
| Molecular Weight | 187.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.0858 |
| Heavy Atoms | 14 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 87688-95-7 |
|---|---|
| SMILES | CC=NN1C(=C(C(=C1N)C#N)C#N)C |
| InChIKey | FEOYBSSTYGNKKU-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl- (CAS 87688-95-7), with molecular formula C9H9N5 and molecular weight 187.09 g/mol. IUPAC: 2-amino-1-(ethylideneamino)-5-methylpyrrole-3,4-dicarbonitrile.
Chemical Property Profile of 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl-
Property Insights of 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl-. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl-. Following Lipinski's Rule of Five, 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl- 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 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl-?
The CAS number of 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl- is 87688-95-7.
What is the molecular formula of 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl-?
The molecular formula of 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl- is C9H9N5.
What is the molecular weight of 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl-?
The molecular weight of 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl- is 187.09 g/mol.
Where can I buy 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl-?
You can request a quote for 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3,4-dicarbonitrile, 2-amino-1-(ethylideneamino)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.