2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile
TL;DR: 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile (CAS 72548-79-9) is a chemical compound with molecular formula C12H9FN2S and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile
Also Known As: 2-amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile, 7-CHLOROHEPTANONITRILE, 3-Pyrrolidin-1-yl-benzoic acid, 1762AF, BB 0249806
| Molecular Formula | C12H9FN2S |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 3.3165 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.04704 |
| Heavy Atoms | 16 |
| Complexity | 563.94006 |
Chemical Identifiers
| CAS Number | 72548-79-9 |
|---|---|
| SMILES | CC1=C(C(=C(S1)N)C#N)C2=CC=C(C=C2)F |
Product Overview
2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile (CAS 72548-79-9), with molecular formula C12H9FN2S and molecular weight 232.05 g/mol. IUPAC: 2-amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile.
Chemical Property Profile of 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile
Property Insights of 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile
The XLogP value of 3.3165 indicates that 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.81 Ų, 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-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
Frequently Asked Questions
What is the CAS number of 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile?
The CAS number of 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile is 72548-79-9.
What is the molecular formula of 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile?
The molecular formula of 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile is C12H9FN2S.
What is the molecular weight of 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile?
The molecular weight of 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile is 232.05 g/mol.
Where can I buy 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile?
You can request a quote for 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.