AB00684813-01
TL;DR: AB00684813-01 (CAS 852144-66-2) is a chemical compound with molecular formula C21H20FN5O2S and molecular weight 425.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluorophenyl)-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AB00684813-01, F0653-0283, 2-((5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluorophenyl)acetamide, N-(3-fluorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-fluorophenyl)-2-[[(5Z)-5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C21H20FN5O2S |
|---|---|
| Molecular Weight | 425.13 g/mol |
| LogP | 3.9427 |
| Topological Polar Surface Area | 84.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.13217 |
| Heavy Atoms | 30 |
| Complexity | 1173.1406 |
Chemical Identifiers
| CAS Number | 852144-66-2 |
|---|---|
| SMILES | COCCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)C3=CNC4=CC=CC=C43 |
Product Overview
AB00684813-01 (CAS 852144-66-2), with molecular formula C21H20FN5O2S and molecular weight 425.13 g/mol. IUPAC: N-(3-fluorophenyl)-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00684813-01
Property Insights of AB00684813-01
The XLogP value of 3.9427 indicates that AB00684813-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684813-01. Following Lipinski's Rule of Five, AB00684813-01 has 2 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 AB00684813-01?
The CAS number of AB00684813-01 is 852144-66-2.
What is the molecular formula of AB00684813-01?
The molecular formula of AB00684813-01 is C21H20FN5O2S.
What is the molecular weight of AB00684813-01?
The molecular weight of AB00684813-01 is 425.13 g/mol.
Where can I buy AB00684813-01?
You can request a quote for AB00684813-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684813-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684813-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.