![2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone structure](/static/products/5855/585552-40-5.webp)
2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
TL;DR: 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone (CAS 585552-40-5) is a chemical compound with molecular formula C19H15N5O2S and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone, 2-((4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-1-phenylethanone, 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone, 2-[4-(2-furylmethyl)-5-pyrazin-2-yl(1,2,4-triazol-3-ylthio)]-1-phenylethan-1-o ne, 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
| Molecular Formula | C19H15N5O2S |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.09464 |
| Heavy Atoms | 27 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 585552-40-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4 |
| InChIKey | VSDXFEUNBNLSPF-UHFFFAOYSA-N |
Product Overview
2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone (CAS 585552-40-5), with molecular formula C19H15N5O2S and molecular weight 377.09 g/mol. IUPAC: 2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.
Chemical Property Profile of 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Property Insights of 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone. Following Lipinski's Rule of Five, 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone has 0 hydrogen bond donor(s) and 7 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-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The CAS number of 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is 585552-40-5.
What is the molecular formula of 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The molecular formula of 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is C19H15N5O2S.
What is the molecular weight of 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
The molecular weight of 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone is 377.09 g/mol.
Where can I buy 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
You can request a quote for 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.