(2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one
TL;DR: (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one (CAS 613656-05-6) is a chemical compound with molecular formula C14H11NOS and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one
Also Known As: 5-Amino-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-inden-1-one, (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one, (2E)-5-amino-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-inden-1-one, 5-amino-2-(2-thienylmethylene)-3-hydrocyclopenta[2,1-a]benzen-1-one, 5-amino-2-[(thiophen-2-yl)methylidene]-2,3-dihydro-1H-inden-1-one
| Molecular Formula | C14H11NOS |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.05614 |
| Heavy Atoms | 17 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 613656-05-6 |
|---|---|
| SMILES | C\1C2=C(C=CC(=C2)N)C(=O)/C1=C/C3=CC=CS3 |
| InChIKey | DXJSHCHZUWSIGE-CSKARUKUSA-N |
Product Overview
(2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one (CAS 613656-05-6), with molecular formula C14H11NOS and molecular weight 241.06 g/mol. IUPAC: (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one.
Chemical Property Profile of (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one
Property Insights of (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one. Following Lipinski's Rule of Five, (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one 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 (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one?
The CAS number of (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one is 613656-05-6.
What is the molecular formula of (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one?
The molecular formula of (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one is C14H11NOS.
What is the molecular weight of (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one?
The molecular weight of (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one is 241.06 g/mol.
Where can I buy (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one?
You can request a quote for (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-5-amino-2-(thiophen-2-ylmethylidene)-3H-inden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.