2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile
TL;DR: 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile (CAS 98130-58-6) is a chemical compound with molecular formula C6H3BrN4 and molecular weight 209.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile
Also Known As: 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile, 2-Amino-5-bromo-3,4-dicyanopyrrole, 2-Amino-5-bromo-3,4-di-cyanopyrole, 2-amino-3,4-dicyano-5-bromopyrrole, 2-amino-5-bromo-3,4-di-cyanopyrrole
| Molecular Formula | C6H3BrN4 |
|---|---|
| Molecular Weight | 209.95 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.95412 |
| Heavy Atoms | 11 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 98130-58-6 |
|---|---|
| SMILES | C(#N)C1=C(NC(=C1C#N)Br)N |
| InChIKey | YOKMIDCZQYUXOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile (CAS 98130-58-6), with molecular formula C6H3BrN4 and molecular weight 209.95 g/mol. IUPAC: 2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile.
Chemical Property Profile of 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile
Property Insights of 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile. Following Lipinski's Rule of Five, 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile has 2 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 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile?
The CAS number of 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile is 98130-58-6.
What is the molecular formula of 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile?
The molecular formula of 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile is C6H3BrN4.
What is the molecular weight of 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile?
The molecular weight of 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile is 209.95 g/mol.
Where can I buy 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile?
You can request a quote for 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.