AB00684816-01
TL;DR: AB00684816-01 (CAS 852145-06-3) is a chemical compound with molecular formula C18H18N6O2S2 and molecular weight 414.09 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-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: AB00684816-01, F0653-0326, 2-((5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(thiazol-2-yl)acetamide, 2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide, 2-[[(5Z)-5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C18H18N6O2S2 |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 3.2601 |
| Topological Polar Surface Area | 97.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.09326 |
| Heavy Atoms | 28 |
| Complexity | 1073.0853 |
Chemical Identifiers
| CAS Number | 852145-06-3 |
|---|---|
| SMILES | COCCN1C(=NN=C1SCC(=O)NC2=NC=CS2)C3=CNC4=CC=CC=C43 |
Product Overview
AB00684816-01 (CAS 852145-06-3), with molecular formula C18H18N6O2S2 and molecular weight 414.09 g/mol. IUPAC: 2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of AB00684816-01
Property Insights of AB00684816-01
The XLogP value of 3.2601 indicates that AB00684816-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.72 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684816-01. Following Lipinski's Rule of Five, AB00684816-01 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 AB00684816-01?
The CAS number of AB00684816-01 is 852145-06-3.
What is the molecular formula of AB00684816-01?
The molecular formula of AB00684816-01 is C18H18N6O2S2.
What is the molecular weight of AB00684816-01?
The molecular weight of AB00684816-01 is 414.09 g/mol.
Where can I buy AB00684816-01?
You can request a quote for AB00684816-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684816-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684816-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.