2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile
TL;DR: 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile (CAS 478081-66-2) is a chemical compound with molecular formula C15H12N2OS2 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-benzoyl-2-prop-2-enylsulfanylthiophene-3-carbonitrile
Also Known As: 2-(allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile, 8P-400S, 4-amino-5-benzoyl-2-(prop-2-en-1-ylsulfanyl)thiophene-3-carbonitrile, 4-amino-5-benzoyl-2-prop-2-enylsulfanylthiophene-3-carbonitrile, 2-allylsulfanyl-4-amino-5-benzoyl-thiophene-3-carbonitrile
| Molecular Formula | C15H12N2OS2 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 3.71108 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.0391 |
| Heavy Atoms | 20 |
| Complexity | 683.88934 |
Chemical Identifiers
| CAS Number | 478081-66-2 |
|---|---|
| SMILES | C=CCSC1=C(C(=C(S1)C(=O)C2=CC=CC=C2)N)C#N |
Product Overview
2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile (CAS 478081-66-2), with molecular formula C15H12N2OS2 and molecular weight 300.04 g/mol. IUPAC: 4-amino-5-benzoyl-2-prop-2-enylsulfanylthiophene-3-carbonitrile.
Chemical Property Profile of 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile
Property Insights of 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile
The XLogP value of 3.71108 indicates that 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile. Following Lipinski's Rule of Five, 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile 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 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile?
The CAS number of 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile is 478081-66-2.
What is the molecular formula of 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile?
The molecular formula of 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile is C15H12N2OS2.
What is the molecular weight of 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile?
The molecular weight of 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile is 300.04 g/mol.
Where can I buy 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile?
You can request a quote for 2-(Allylsulfanyl)-4-amino-5-benzoyl-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-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylsulfanyl)-4-amino-5-benzoyl-3-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.