AB00684804-01
TL;DR: AB00684804-01 (CAS 852142-96-2) is a chemical compound with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethoxyphenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00684804-01, F0653-0049, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethoxyphenyl)acetamide, N-(2,4-dimethoxyphenyl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2,4-dimethoxyphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H21N5O3S |
|---|---|
| Molecular Weight | 423.14 g/mol |
| LogP | 3.7114 |
| Topological Polar Surface Area | 94.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.1365 |
| Heavy Atoms | 30 |
| Complexity | 1200.5504 |
Chemical Identifiers
| CAS Number | 852142-96-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)OC)C3=CNC4=CC=CC=C43 |
Product Overview
AB00684804-01 (CAS 852142-96-2), with molecular formula C21H21N5O3S and molecular weight 423.14 g/mol. IUPAC: N-(2,4-dimethoxyphenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00684804-01
Property Insights of AB00684804-01
The XLogP value of 3.7114 indicates that AB00684804-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684804-01. Following Lipinski's Rule of Five, AB00684804-01 has 2 hydrogen bond donor(s) and 6 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 AB00684804-01?
The CAS number of AB00684804-01 is 852142-96-2.
What is the molecular formula of AB00684804-01?
The molecular formula of AB00684804-01 is C21H21N5O3S.
What is the molecular weight of AB00684804-01?
The molecular weight of AB00684804-01 is 423.14 g/mol.
Where can I buy AB00684804-01?
You can request a quote for AB00684804-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684804-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684804-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.