2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile
TL;DR: 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile (CAS 625376-33-2) is a chemical compound with molecular formula C13H17N3OS and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-(2,2-dimethylpropanoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile
Also Known As: BAS 07415911, 2-(allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile, 4-amino-5-(2,2-dimethylpropanoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile, 2-(allylamino)-4-amino-5-pivaloyl-thiophene-3-carbonitrile, 2-Allylamino-4-amino-5-(2,2-dimethyl-propionyl)-thiophene-3-carbonitrile
| Molecular Formula | C13H17N3OS |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 3.02868 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.10922 |
| Heavy Atoms | 18 |
| Complexity | 517.5643 |
Chemical Identifiers
| CAS Number | 625376-33-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)C1=C(C(=C(S1)NCC=C)C#N)N |
Product Overview
2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile (CAS 625376-33-2), with molecular formula C13H17N3OS and molecular weight 263.11 g/mol. IUPAC: 4-amino-5-(2,2-dimethylpropanoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile.
Chemical Property Profile of 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile
Property Insights of 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile
The XLogP value of 3.02868 indicates that 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile. Following Lipinski's Rule of Five, 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile has 2 hydrogen bond donor(s) and 5 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-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile?
The CAS number of 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile is 625376-33-2.
What is the molecular formula of 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile?
The molecular formula of 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile is C13H17N3OS.
What is the molecular weight of 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile?
The molecular weight of 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile is 263.11 g/mol.
Where can I buy 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile?
You can request a quote for 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.