AB00684809-01
TL;DR: AB00684809-01 (CAS 852143-98-7) is a chemical compound with molecular formula C20H18N6O3S and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: AB00684809-01, F0653-0184, 2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide, 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide, 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
| Molecular Formula | C20H18N6O3S |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 4.0853 |
| Topological Polar Surface Area | 118.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.11612 |
| Heavy Atoms | 30 |
| Complexity | 1214.9978 |
Chemical Identifiers
| CAS Number | 852143-98-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43 |
Product Overview
AB00684809-01 (CAS 852143-98-7), with molecular formula C20H18N6O3S and molecular weight 422.12 g/mol. IUPAC: 2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of AB00684809-01
Property Insights of AB00684809-01
The XLogP value of 4.0853 indicates that AB00684809-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.74 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684809-01. Following Lipinski's Rule of Five, AB00684809-01 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 AB00684809-01?
The CAS number of AB00684809-01 is 852143-98-7.
What is the molecular formula of AB00684809-01?
The molecular formula of AB00684809-01 is C20H18N6O3S.
What is the molecular weight of AB00684809-01?
The molecular weight of AB00684809-01 is 422.12 g/mol.
Where can I buy AB00684809-01?
You can request a quote for AB00684809-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684809-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684809-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.