2-氨基-4-甲基-1H-吡咯-3-甲腈
TL;DR: 2-氨基-4-甲基-1H-吡咯-3-甲腈 (CAS 59146-60-0) is a chemical compound with molecular formula C6H7N3 and molecular weight 121.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基-4-甲基-1H-吡咯-3-甲腈
2-amino-4-methyl-1H-pyrrole-3-carbonitrile
Also Known As: 2-Amino-4-methyl-1H-pyrrole-3-carbonitrile, 1H-Pyrrole-3-carbonitrile,2-amino-4-methyl-(9CI), 2-Amino-3-cyano-4-methylpyrrol, 2-amino-3-cyano-4-methyl-pyrrole, 2-Amino-4-methylpyrrole-3-carbonitrile
| Molecular Formula | C6H7N3 |
|---|---|
| Molecular Weight | 121.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.063995 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 59146-60-0 |
|---|---|
| SMILES | CC1=CNC(=C1C#N)N |
| InChIKey | QZVGXWVMKIDEID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氨基-4-甲基-1H-吡咯-3-甲腈 (CAS 59146-60-0), with molecular formula C6H7N3 and molecular weight 121.06 g/mol. IUPAC: 2-amino-4-methyl-1H-pyrrole-3-carbonitrile.
Chemical Property Profile of 2-氨基-4-甲基-1H-吡咯-3-甲腈
Property Insights of 2-氨基-4-甲基-1H-吡咯-3-甲腈
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氨基-4-甲基-1H-吡咯-3-甲腈. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氨基-4-甲基-1H-吡咯-3-甲腈. Following Lipinski's Rule of Five, 2-氨基-4-甲基-1H-吡咯-3-甲腈 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-氨基-4-甲基-1H-吡咯-3-甲腈?
The CAS number of 2-氨基-4-甲基-1H-吡咯-3-甲腈 is 59146-60-0.
What is the molecular formula of 2-氨基-4-甲基-1H-吡咯-3-甲腈?
The molecular formula of 2-氨基-4-甲基-1H-吡咯-3-甲腈 is C6H7N3.
What is the molecular weight of 2-氨基-4-甲基-1H-吡咯-3-甲腈?
The molecular weight of 2-氨基-4-甲基-1H-吡咯-3-甲腈 is 121.06 g/mol.
Where can I buy 2-氨基-4-甲基-1H-吡咯-3-甲腈?
You can request a quote for 2-氨基-4-甲基-1H-吡咯-3-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氨基-4-甲基-1H-吡咯-3-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基-4-甲基-1H-吡咯-3-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.