3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE
TL;DR: 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE (CAS 497060-85-2) is a chemical compound with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE, AO-990/15068189, 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione, 3-[(2,2-dimethyl-3H-benzofuran-7-yl)oxymethyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione, 3-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]methyl}-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
| Molecular Formula | C20H21N3O2S |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | 4.53081 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.13544 |
| Heavy Atoms | 26 |
| Complexity | 1002.6409 |
Chemical Identifiers
| CAS Number | 497060-85-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC4=C3OC(C4)(C)C |
Product Overview
3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE (CAS 497060-85-2), with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol. IUPAC: 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE
Property Insights of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE
The XLogP value of 4.53081 indicates that 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.07 Ų, 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE has 1 hydrogen bond donor(s) and 4 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 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE?
The CAS number of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE is 497060-85-2.
What is the molecular formula of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE?
The molecular formula of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE is C20H21N3O2S.
What is the molecular weight of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE?
The molecular weight of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE is 367.14 g/mol.
Where can I buy 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE?
You can request a quote for 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-(4-METHYLPHENYL)-1,2,4-TRIAZOLINE-5-THIONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.