AO-081/41551439
TL;DR: AO-081/41551439 (CAS 531517-39-2) is a chemical compound with molecular formula C21H17Cl2N5OS2 and molecular weight 489.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
Also Known As: AO-081/41551439, 2-{[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenyl-1,3-thiazol-2-yl)acetamide, 2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide, 2-((5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-phenylthiazol-2-yl)acetamide, 2-{[5-(2,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2E)-4-phenyl-1,3-thiazol-2(3H)-ylidene]acetamide
| Molecular Formula | C21H17Cl2N5OS2 |
|---|---|
| Molecular Weight | 489.03 g/mol |
| LogP | 6.1261 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.02515 |
| Heavy Atoms | 31 |
| Complexity | 1209.7178 |
Chemical Identifiers
| CAS Number | 531517-39-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
AO-081/41551439 (CAS 531517-39-2), with molecular formula C21H17Cl2N5OS2 and molecular weight 489.03 g/mol. IUPAC: 2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of AO-081/41551439
Property Insights of AO-081/41551439
The XLogP value of 6.1261 indicates that AO-081/41551439 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/41551439. Following Lipinski's Rule of Five, AO-081/41551439 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/41551439?
The CAS number of AO-081/41551439 is 531517-39-2.
What is the molecular formula of AO-081/41551439?
The molecular formula of AO-081/41551439 is C21H17Cl2N5OS2.
What is the molecular weight of AO-081/41551439?
The molecular weight of AO-081/41551439 is 489.03 g/mol.
Where can I buy AO-081/41551439?
You can request a quote for AO-081/41551439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41551439?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41551439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.