![4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide structure](/static/products/5779/577959-64-9.webp)
4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide
TL;DR: 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide (CAS 577959-64-9) is a chemical compound with molecular formula C20H22N6O3S and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide, 4-(2-((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-(2-{4-amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetylamino)be nzamide, 4-[[2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
| Molecular Formula | C20H22N6O3S |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 2.2758 |
| Topological Polar Surface Area | 138.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.1474 |
| Heavy Atoms | 30 |
| Complexity | 1048.9503 |
Chemical Identifiers
| CAS Number | 577959-64-9 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)N |
Product Overview
4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide (CAS 577959-64-9), with molecular formula C20H22N6O3S and molecular weight 426.15 g/mol. IUPAC: 4-[[2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide
Property Insights of 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide
The XLogP value of 2.2758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide. The TPSA of 138.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide. Following Lipinski's Rule of Five, 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide has 3 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 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide?
The CAS number of 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide is 577959-64-9.
What is the molecular formula of 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide?
The molecular formula of 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide is C20H22N6O3S.
What is the molecular weight of 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide?
The molecular weight of 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide is 426.15 g/mol.
Where can I buy 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide?
You can request a quote for 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{[({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.