AO-080/42479968
TL;DR: AO-080/42479968 (CAS 632298-89-6) is a chemical compound with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone
Also Known As: AO-080/42479968, 2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone, 2-{[5-(4-chlorobenzyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,5-dimethoxyphenyl)ethanone
| Molecular Formula | C20H20ClN3O3S |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 4.0515 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.0914 |
| Heavy Atoms | 28 |
| Complexity | 973.32733 |
Chemical Identifiers
| CAS Number | 632298-89-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=C(C=CC(=C2)OC)OC)CC3=CC=C(C=C3)Cl |
Product Overview
AO-080/42479968 (CAS 632298-89-6), with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol. IUPAC: 2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone.
Chemical Property Profile of AO-080/42479968
Property Insights of AO-080/42479968
The XLogP value of 4.0515 indicates that AO-080/42479968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42479968. Following Lipinski's Rule of Five, AO-080/42479968 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-080/42479968?
The CAS number of AO-080/42479968 is 632298-89-6.
What is the molecular formula of AO-080/42479968?
The molecular formula of AO-080/42479968 is C20H20ClN3O3S.
What is the molecular weight of AO-080/42479968?
The molecular weight of AO-080/42479968 is 417.09 g/mol.
Where can I buy AO-080/42479968?
You can request a quote for AO-080/42479968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479968?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.