3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile
TL;DR: 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile (CAS 904847-99-0) is a chemical compound with molecular formula C11H13NOS and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-tert-butylthiophen-2-yl)-3-oxopropanenitrile
Also Known As: Maybridge3_004401, IDI1_015788, 3-(5-tert-butylthiophen-2-yl)-3-oxopropanenitrile, 2-Thiophenepropanenitrile, 5-(1,1-dimethylethyl)-beta-oxo-, 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile
| Molecular Formula | C11H13NOS |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 3.14198 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0718 |
| Heavy Atoms | 14 |
| Complexity | 378.72717 |
Chemical Identifiers
| CAS Number | 904847-99-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(S1)C(=O)CC#N |
Product Overview
3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile (CAS 904847-99-0), with molecular formula C11H13NOS and molecular weight 207.07 g/mol. IUPAC: 3-(5-tert-butylthiophen-2-yl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile
Property Insights of 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile
The XLogP value of 3.14198 indicates that 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile has 0 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 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile?
The CAS number of 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile is 904847-99-0.
What is the molecular formula of 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile?
The molecular formula of 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile is C11H13NOS.
What is the molecular weight of 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile?
The molecular weight of 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile is 207.07 g/mol.
Where can I buy 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile?
You can request a quote for 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-tert-Butyl-thiophen-2-yl)-3-oxo-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.