![2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide structure](/static/products/5869/586988-35-4.webp)
2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide
TL;DR: 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide (CAS 586988-35-4) is a chemical compound with molecular formula C26H27N5O3S and molecular weight 489.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
Also Known As: 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide, 2-((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide, 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide, 2-{4-amino-5-[3-(methylethoxy)phenyl](1,2,4-triazol-3-ylthio)}-N-[4-(phenylmet hoxy)phenyl]acetamide
| Molecular Formula | C26H27N5O3S |
|---|---|
| Molecular Weight | 489.18 g/mol |
| LogP | 4.7559 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 489.18347 |
| Heavy Atoms | 35 |
| Complexity | 1259.7396 |
Chemical Identifiers
| CAS Number | 586988-35-4 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4 |
Product Overview
2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide (CAS 586988-35-4), with molecular formula C26H27N5O3S and molecular weight 489.18 g/mol. IUPAC: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide.
Chemical Property Profile of 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide
Property Insights of 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide
The XLogP value of 4.7559 indicates that 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide. Following Lipinski's Rule of Five, 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide has 2 hydrogen bond donor(s) and 7 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-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide?
The CAS number of 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide is 586988-35-4.
What is the molecular formula of 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide?
The molecular formula of 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide is C26H27N5O3S.
What is the molecular weight of 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide?
The molecular weight of 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide is 489.18 g/mol.
Where can I buy 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide?
You can request a quote for 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]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-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(benzyloxy)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.