AO-080/43342542
TL;DR: AO-080/43342542 (CAS 727370-86-7) is a chemical compound with molecular formula C15H20F3N5OS and molecular weight 375.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AO-080/43342542, N-(1-adamantyl)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(1-adamantyl)-2-{[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C15H20F3N5OS |
|---|---|
| Molecular Weight | 375.13 g/mol |
| LogP | 2.1878 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.13406 |
| Heavy Atoms | 25 |
| Complexity | 653.9128 |
Chemical Identifiers
| CAS Number | 727370-86-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(N4N)C(F)(F)F |
Product Overview
AO-080/43342542 (CAS 727370-86-7), with molecular formula C15H20F3N5OS and molecular weight 375.13 g/mol. IUPAC: N-(1-adamantyl)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AO-080/43342542
Property Insights of AO-080/43342542
The XLogP value of 2.1878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-080/43342542. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/43342542. Following Lipinski's Rule of Five, AO-080/43342542 has 2 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-080/43342542?
The CAS number of AO-080/43342542 is 727370-86-7.
What is the molecular formula of AO-080/43342542?
The molecular formula of AO-080/43342542 is C15H20F3N5OS.
What is the molecular weight of AO-080/43342542?
The molecular weight of AO-080/43342542 is 375.13 g/mol.
Where can I buy AO-080/43342542?
You can request a quote for AO-080/43342542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/43342542?
Yes, KEHONG BIO provides custom synthesis services for AO-080/43342542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.