Amphethinile
TL;DR: Amphethinile (CAS 91531-98-5) is a chemical compound with molecular formula C15H11N3S and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-phenylsulfanyl-1H-indole-3-carbonitrile
Also Known As: Amphethinile, AMPHETINILE, Amphetinile;CRC 82-07, 2-Amino-3-cyano-5-(phenylthio)indole, Ici 134,154
| Molecular Formula | C15H11N3S |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.06738 |
| Heavy Atoms | 19 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 91531-98-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC3=C(C=C2)NC(=C3C#N)N |
| InChIKey | LHNIUFUSFGYJEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amphethinile (CAS 91531-98-5), with molecular formula C15H11N3S and molecular weight 265.07 g/mol. IUPAC: 2-amino-5-phenylsulfanyl-1H-indole-3-carbonitrile.
Chemical Property Profile of Amphethinile
Property Insights of Amphethinile
The XLogP value of 4.0 indicates that Amphethinile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Amphethinile. Following Lipinski's Rule of Five, Amphethinile has 2 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 Amphethinile?
The CAS number of Amphethinile is 91531-98-5.
What is the molecular formula of Amphethinile?
The molecular formula of Amphethinile is C15H11N3S.
What is the molecular weight of Amphethinile?
The molecular weight of Amphethinile is 265.07 g/mol.
Where can I buy Amphethinile?
You can request a quote for Amphethinile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amphethinile?
Yes, KEHONG BIO provides custom synthesis services for Amphethinile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.