1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone
TL;DR: 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone (CAS 902332-49-4) is a chemical compound with molecular formula C21H16N4O2S and molecular weight 388.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(11-methyl-13-phenyl-4-thiophen-2-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl)ethanone
Also Known As: 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone, 1-[8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl]ethanone
| Molecular Formula | C21H16N4O2S |
|---|---|
| Molecular Weight | 388.10 g/mol |
| LogP | 4.2401 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.0994 |
| Heavy Atoms | 28 |
| Complexity | 1226.2793 |
Chemical Identifiers
| CAS Number | 902332-49-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(O1)N=CN3C2=NC(=N3)C4=CC=CS4)C5=CC=CC=C5)C(=O)C |
Product Overview
1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone (CAS 902332-49-4), with molecular formula C21H16N4O2S and molecular weight 388.10 g/mol. IUPAC: 1-(11-methyl-13-phenyl-4-thiophen-2-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,11-pentaen-12-yl)ethanone.
Chemical Property Profile of 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone
Property Insights of 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone
The XLogP value of 4.2401 indicates that 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone. Following Lipinski's Rule of Five, 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone has 0 hydrogen bond donor(s) and 6 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 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone?
The CAS number of 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone is 902332-49-4.
What is the molecular formula of 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone?
The molecular formula of 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone is C21H16N4O2S.
What is the molecular weight of 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone?
The molecular weight of 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone is 388.10 g/mol.
Where can I buy 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone?
You can request a quote for 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(8-methyl-10-phenyl-2-(thiophen-2-yl)-10H-pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-9-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.