AO-080/42479654
TL;DR: AO-080/42479654 (CAS 6859-01-4) is a chemical compound with molecular formula C22H15F3N2O2S2 and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-phenoxyphenyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
Also Known As: AO-080/42479654, N-(2-phenoxyphenyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide, N-(2-phenoxyphenyl)-2-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
| Molecular Formula | C22H15F3N2O2S2 |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 6.8382 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.0527 |
| Heavy Atoms | 31 |
| Complexity | 1210.3381 |
Chemical Identifiers
| CAS Number | 6859-01-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CSC3=NC4=C(S3)C=CC(=C4)C(F)(F)F |
Product Overview
AO-080/42479654 (CAS 6859-01-4), with molecular formula C22H15F3N2O2S2 and molecular weight 460.05 g/mol. IUPAC: N-(2-phenoxyphenyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AO-080/42479654
Property Insights of AO-080/42479654
The XLogP value of 6.8382 indicates that AO-080/42479654 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, AO-080/42479654 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-080/42479654 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-080/42479654?
The CAS number of AO-080/42479654 is 6859-01-4.
What is the molecular formula of AO-080/42479654?
The molecular formula of AO-080/42479654 is C22H15F3N2O2S2.
What is the molecular weight of AO-080/42479654?
The molecular weight of AO-080/42479654 is 460.05 g/mol.
Where can I buy AO-080/42479654?
You can request a quote for AO-080/42479654 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479654?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479654 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.