2-Amino-3-cyano-4,5-dimethylpyrrole
TL;DR: 2-Amino-3-cyano-4,5-dimethylpyrrole (CAS 21392-51-8) is a chemical compound with molecular formula C7H9N3 and molecular weight 135.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile
Also Known As: 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile, 2-Amino-3-cyano-4,5-dimethylpyrrole, 2-amino-3-cyano-4,5-dimethyl-1h-pyrrole, 2-amino-4,5-dimethylpyrrole-3-carbonitrile, 3-(2-Aminoethyl)-1-N-Boc-piperidine
| Molecular Formula | C7H9N3 |
|---|---|
| Molecular Weight | 135.08 g/mol |
| LogP | 1.08542 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.07965 |
| Heavy Atoms | 10 |
| Complexity | 290.53525 |
Chemical Identifiers
| CAS Number | 21392-51-8 |
|---|---|
| SMILES | CC1=C(NC(=C1C#N)N)C |
Product Overview
2-Amino-3-cyano-4,5-dimethylpyrrole (CAS 21392-51-8), with molecular formula C7H9N3 and molecular weight 135.08 g/mol. IUPAC: 2-amino-4,5-dimethyl-1H-pyrrole-3-carbonitrile.
Chemical Property Profile of 2-Amino-3-cyano-4,5-dimethylpyrrole
Property Insights of 2-Amino-3-cyano-4,5-dimethylpyrrole
The XLogP value of 1.08542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-cyano-4,5-dimethylpyrrole. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-cyano-4,5-dimethylpyrrole. Following Lipinski's Rule of Five, 2-Amino-3-cyano-4,5-dimethylpyrrole has 2 hydrogen bond donor(s) and 2 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-3-cyano-4,5-dimethylpyrrole?
The CAS number of 2-Amino-3-cyano-4,5-dimethylpyrrole is 21392-51-8.
What is the molecular formula of 2-Amino-3-cyano-4,5-dimethylpyrrole?
The molecular formula of 2-Amino-3-cyano-4,5-dimethylpyrrole is C7H9N3.
What is the molecular weight of 2-Amino-3-cyano-4,5-dimethylpyrrole?
The molecular weight of 2-Amino-3-cyano-4,5-dimethylpyrrole is 135.08 g/mol.
Where can I buy 2-Amino-3-cyano-4,5-dimethylpyrrole?
You can request a quote for 2-Amino-3-cyano-4,5-dimethylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-cyano-4,5-dimethylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-cyano-4,5-dimethylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.