2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile
TL;DR: 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile (CAS 103026-05-7) is a chemical compound with molecular formula C12H13N3S and molecular weight 231.08302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbonitrile
Also Known As: Maybridge1_008428, 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile, 2-amino-4,5-dimethyl-1-[(thiophen-2-yl)methyl]-1H-pyrrole-3-carbonitrile, 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carbonitrile
Technical Specifications
| Molecular Formula | C12H13N3S |
| Molecular Weight | 231.08302 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 83.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08302 Da |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
| SMILES | CC1=C(N(C(=C1C#N)N)CC2=CC=CS2)C |
| InChIKey | WSAFWGURKLPHDZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile
Property Insights of 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile?
The CAS number of 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile is 103026-05-7.
What is the molecular formula of 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile?
The molecular formula of 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile is C12H13N3S.
What is the molecular weight of 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile?
The molecular weight of 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile is 231.08302 g/mol.
Where can I buy 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile?
You can request a quote for 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-amino-4,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.