AB00684821-01
TL;DR: AB00684821-01 (CAS 852167-28-3) is a chemical compound with molecular formula C23H20N6O3S and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: AB00684821-01, F0653-0552, 2-((5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide, 2-[[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C23H20N6O3S |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | 4.45142 |
| Topological Polar Surface Area | 110.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.13177 |
| Heavy Atoms | 33 |
| Complexity | 1419.7925 |
Chemical Identifiers
| CAS Number | 852167-28-3 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CNC5=CC=CC=C54 |
Product Overview
AB00684821-01 (CAS 852167-28-3), with molecular formula C23H20N6O3S and molecular weight 460.13 g/mol. IUPAC: 2-[[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of AB00684821-01
Property Insights of AB00684821-01
The XLogP value of 4.45142 indicates that AB00684821-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684821-01. Following Lipinski's Rule of Five, AB00684821-01 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 AB00684821-01?
The CAS number of AB00684821-01 is 852167-28-3.
What is the molecular formula of AB00684821-01?
The molecular formula of AB00684821-01 is C23H20N6O3S.
What is the molecular weight of AB00684821-01?
The molecular weight of AB00684821-01 is 460.13 g/mol.
Where can I buy AB00684821-01?
You can request a quote for AB00684821-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684821-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684821-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.