![2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide structure](/static/products/836/836666-25-2.png)
2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
TL;DR: 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide (CAS 836666-25-2) is a chemical compound with molecular formula C17H21ClN4O2S and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-[[5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-((4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide, 2-({5-[3-chloro-4-(propan-2-yloxy)benzyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
| Molecular Formula | C17H21ClN4O2S |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 3.0729 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 380.10736 |
| Heavy Atoms | 25 |
| Complexity | 761.10126 |
Chemical Identifiers
| CAS Number | 836666-25-2 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)N)Cl |
Product Overview
2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide (CAS 836666-25-2), with molecular formula C17H21ClN4O2S and molecular weight 380.11 g/mol. IUPAC: 2-[[5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
Property Insights of 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
The XLogP value of 3.0729 indicates that 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide. Following Lipinski's Rule of Five, 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}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-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
The CAS number of 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide is 836666-25-2.
What is the molecular formula of 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
The molecular formula of 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide is C17H21ClN4O2S.
What is the molecular weight of 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
The molecular weight of 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide is 380.11 g/mol.
Where can I buy 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
You can request a quote for 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}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-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl]thio}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.