AO-080/42479868
TL;DR: AO-080/42479868 (CAS 540515-74-0) is a chemical compound with molecular formula C14H15Cl2N5OS and molecular weight 371.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: AO-080/42479868, 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone, 3-(2,4-dichlorophenyl)-5-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-4H-1,2,4-triazol-4-amine, 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C14H15Cl2N5OS |
|---|---|
| Molecular Weight | 371.04 g/mol |
| LogP | 2.6802 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.03745 |
| Heavy Atoms | 23 |
| Complexity | 729.9529 |
Chemical Identifiers
| CAS Number | 540515-74-0 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
AO-080/42479868 (CAS 540515-74-0), with molecular formula C14H15Cl2N5OS and molecular weight 371.04 g/mol. IUPAC: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of AO-080/42479868
Property Insights of AO-080/42479868
The XLogP value of 2.6802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-080/42479868. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42479868. Following Lipinski's Rule of Five, AO-080/42479868 has 1 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 AO-080/42479868?
The CAS number of AO-080/42479868 is 540515-74-0.
What is the molecular formula of AO-080/42479868?
The molecular formula of AO-080/42479868 is C14H15Cl2N5OS.
What is the molecular weight of AO-080/42479868?
The molecular weight of AO-080/42479868 is 371.04 g/mol.
Where can I buy AO-080/42479868?
You can request a quote for AO-080/42479868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479868?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.