![2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone structure](/static/products/6927/692774-65-5.webp)
2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone
TL;DR: 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone (CAS 692774-65-5) is a chemical compound with molecular formula C25H26N4O2S and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
Also Known As: 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone, 2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone, 2-{[4-METHYL-5-(2-METHYLPHENOXYMETHYL)-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(1,2,3,4-TETRAHYDROCARBAZOL-9-YL)ETHANONE
| Molecular Formula | C25H26N4O2S |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | 4.96852 |
| Topological Polar Surface Area | 61.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.17764 |
| Heavy Atoms | 32 |
| Complexity | 1290.5818 |
Chemical Identifiers
| CAS Number | 692774-65-5 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)N3C4=C(CCCC4)C5=CC=CC=C53 |
Product Overview
2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone (CAS 692774-65-5), with molecular formula C25H26N4O2S and molecular weight 446.18 g/mol. IUPAC: 2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone.
Chemical Property Profile of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone
Property Insights of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone
The XLogP value of 4.96852 indicates that 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone. Following Lipinski's Rule of Five, 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone has 0 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 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone?
The CAS number of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone is 692774-65-5.
What is the molecular formula of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone?
The molecular formula of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone is C25H26N4O2S.
What is the molecular weight of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone?
The molecular weight of 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone is 446.18 g/mol.
Where can I buy 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone?
You can request a quote for 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-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 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.