4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile
TL;DR: 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile (CAS 478248-33-8) is a chemical compound with molecular formula C20H16N2O2S and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile
Also Known As: 4-amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile, 4-amino-5-benzoyl-2-(2,3-dimethylphenoxy)-3-thiophenecarbonitrile, REGID_for_CID_1489049
| Molecular Formula | C20H16N2O2S |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 4.84212 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.09326 |
| Heavy Atoms | 25 |
| Complexity | 984.921 |
Chemical Identifiers
| CAS Number | 478248-33-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OC2=C(C(=C(S2)C(=O)C3=CC=CC=C3)N)C#N)C |
Product Overview
4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile (CAS 478248-33-8), with molecular formula C20H16N2O2S and molecular weight 348.09 g/mol. IUPAC: 4-amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile.
Chemical Property Profile of 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile
Property Insights of 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile
The XLogP value of 4.84212 indicates that 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile has 1 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 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile?
The CAS number of 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile is 478248-33-8.
What is the molecular formula of 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile?
The molecular formula of 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile is C20H16N2O2S.
What is the molecular weight of 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile?
The molecular weight of 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile is 348.09 g/mol.
Where can I buy 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile?
You can request a quote for 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-benzoyl-2-(2,3-dimethylphenoxy)thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.