AO-080/42479463
TL;DR: AO-080/42479463 (CAS 540515-10-4) is a chemical compound with molecular formula C16H21N5O2S2 and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide
Also Known As: AO-080/42479463, 2-[[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide, 2,2'-[(1-phenyl-1H-1,2,4-triazole-3,5-diyl)bis(thio)]bis(N,N-dimethylacetamide), 2,2'-[(1-phenyl-1H-1,2,4-triazole-3,5-diyl)disulfanediyl]bis(N,N-dimethylacetamide), 2-[(3-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]-N,N-dimethylacetamide
| Molecular Formula | C16H21N5O2S2 |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 1.6279 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.11368 |
| Heavy Atoms | 25 |
| Complexity | 731.3812 |
Chemical Identifiers
| CAS Number | 540515-10-4 |
|---|---|
| SMILES | CN(C)C(=O)CSC1=NN(C(=N1)SCC(=O)N(C)C)C2=CC=CC=C2 |
Product Overview
AO-080/42479463 (CAS 540515-10-4), with molecular formula C16H21N5O2S2 and molecular weight 379.11 g/mol. IUPAC: 2-[[5-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide.
Chemical Property Profile of AO-080/42479463
Property Insights of AO-080/42479463
The XLogP value of 1.6279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-080/42479463. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42479463. Following Lipinski's Rule of Five, AO-080/42479463 has 0 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 AO-080/42479463?
The CAS number of AO-080/42479463 is 540515-10-4.
What is the molecular formula of AO-080/42479463?
The molecular formula of AO-080/42479463 is C16H21N5O2S2.
What is the molecular weight of AO-080/42479463?
The molecular weight of AO-080/42479463 is 379.11 g/mol.
Where can I buy AO-080/42479463?
You can request a quote for AO-080/42479463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479463?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.