![2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE structure](/static/products/5383/538337-73-4.webp)
2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE
TL;DR: 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE (CAS 538337-73-4) is a chemical compound with molecular formula C31H36N4O2S and molecular weight 528.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
Also Known As: 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE, A3029/0127779, 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide, 2-((5-((4-TERT-BUTYLPHENOXY)METHYL)-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-ISOPROPYL-N-PHENYLACETAMIDE, 2-[[5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
| Molecular Formula | C31H36N4O2S |
|---|---|
| Molecular Weight | 528.26 g/mol |
| LogP | 6.98592 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.2559 |
| Heavy Atoms | 38 |
| Complexity | 1358.9023 |
Chemical Identifiers
| CAS Number | 538337-73-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C(C)C)COC4=CC=C(C=C4)C(C)(C)C |
Product Overview
2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE (CAS 538337-73-4), with molecular formula C31H36N4O2S and molecular weight 528.26 g/mol. IUPAC: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
Chemical Property Profile of 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE
Property Insights of 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE
The XLogP value of 6.98592 indicates that 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE 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-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE. Following Lipinski's Rule of Five, 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE?
The CAS number of 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE is 538337-73-4.
What is the molecular formula of 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE?
The molecular formula of 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE is C31H36N4O2S.
What is the molecular weight of 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE?
The molecular weight of 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE is 528.26 g/mol.
Where can I buy 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE?
You can request a quote for 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-ISOPROPYL-N-PHENYLACETAMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.