5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one
TL;DR: 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one (CAS 879618-45-8) is a chemical compound with molecular formula C12H12N4OS and molecular weight 260.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-ylamino)cyclohex-2-en-1-one
Also Known As: ASN 13558499, 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one, A4128/0176029, 3-((1H-1,2,4-triazol-5-yl)amino)-5-(thiophen-2-yl)cyclohex-2-enone, 5-(thiophen-2-yl)-3-(1H-1,2,4-triazol-5-ylamino)cyclohex-2-en-1-one
| Molecular Formula | C12H12N4OS |
|---|---|
| Molecular Weight | 260.07 g/mol |
| LogP | 2.3087 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.07318 |
| Heavy Atoms | 18 |
| Complexity | 558.93146 |
Chemical Identifiers
| CAS Number | 879618-45-8 |
|---|---|
| SMILES | C1C(CC(=O)C=C1NC2=NC=NN2)C3=CC=CS3 |
Product Overview
5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one (CAS 879618-45-8), with molecular formula C12H12N4OS and molecular weight 260.07 g/mol. IUPAC: 5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-ylamino)cyclohex-2-en-1-one.
Chemical Property Profile of 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one
Property Insights of 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one
The XLogP value of 2.3087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one. Following Lipinski's Rule of Five, 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one has 2 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 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one?
The CAS number of 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one is 879618-45-8.
What is the molecular formula of 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one?
The molecular formula of 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one is C12H12N4OS.
What is the molecular weight of 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one?
The molecular weight of 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one is 260.07 g/mol.
Where can I buy 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one?
You can request a quote for 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-thienyl)-3-(1H-1,2,4-triazol-5-ylamino)-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.