2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide
TL;DR: 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide (CAS 899398-46-0) is a chemical compound with molecular formula C21H24N4OS2 and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-propan-2-ylphenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide, 2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide, N-(2-propan-2-ylphenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[2-(methylethyl)phenyl]-2-[4-prop-2-enyl-5-(2-thienylmethyl)(1,2,4-triazol-3 -ylthio)]acetamide, N-[2-(propan-2-yl)phenyl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H24N4OS2 |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 4.9706 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 412.13916 |
| Heavy Atoms | 28 |
| Complexity | 931.796 |
Chemical Identifiers
| CAS Number | 899398-46-0 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CC3=CC=CS3 |
Product Overview
2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide (CAS 899398-46-0), with molecular formula C21H24N4OS2 and molecular weight 412.14 g/mol. IUPAC: N-(2-propan-2-ylphenyl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide
Property Insights of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide
The XLogP value of 4.9706 indicates that 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide has 1 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-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide?
The CAS number of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide is 899398-46-0.
What is the molecular formula of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide?
The molecular formula of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide is C21H24N4OS2.
What is the molecular weight of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide?
The molecular weight of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide is 412.14 g/mol.
Where can I buy 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide?
You can request a quote for 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.