![2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone structure](/static/products/6944/694485-47-7.webp)
2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone
TL;DR: 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone (CAS 694485-47-7) is a chemical compound with molecular formula C25H22N4O2S2 and molecular weight 474.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone
Also Known As: 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone, 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone
| Molecular Formula | C25H22N4O2S2 |
|---|---|
| Molecular Weight | 474.12 g/mol |
| LogP | 5.62412 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.1184 |
| Heavy Atoms | 33 |
| Complexity | 1275.7721 |
Chemical Identifiers
| CAS Number | 694485-47-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53 |
Product Overview
2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone (CAS 694485-47-7), with molecular formula C25H22N4O2S2 and molecular weight 474.12 g/mol. IUPAC: 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone.
Chemical Property Profile of 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone
Property Insights of 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone
The XLogP value of 5.62412 indicates that 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone. Following Lipinski's Rule of Five, 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone?
The CAS number of 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone is 694485-47-7.
What is the molecular formula of 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone?
The molecular formula of 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone is C25H22N4O2S2.
What is the molecular weight of 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone?
The molecular weight of 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone is 474.12 g/mol.
Where can I buy 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone?
You can request a quote for 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(10H-phenothiazin-10-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.