AO-080/42479416
TL;DR: AO-080/42479416 (CAS 650593-44-5) is a chemical compound with molecular formula C18H15ClN6OS and molecular weight 398.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-chlorophenyl)quinazolin-4-one
Also Known As: AO-080/42479416, 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-chlorophenyl)quinazolin-4-one, 2-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio]methyl}-3-(2-chlorophenyl)-4(3H)-quinazolinone, 2-[(4-amino-5-methyl(1,2,4-triazol-3-ylthio))methyl]-3-(2-chlorophenyl)-3-hydr oquinazolin-4-one, 2-{[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(2-chlorophenyl)-4(3H)-quinazolinone
| Molecular Formula | C18H15ClN6OS |
|---|---|
| Molecular Weight | 398.07 g/mol |
| LogP | 2.94512 |
| Topological Polar Surface Area | 91.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.07166 |
| Heavy Atoms | 27 |
| Complexity | 1202.1492 |
Chemical Identifiers
| CAS Number | 650593-44-5 |
|---|---|
| SMILES | CC1=NN=C(N1N)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4Cl |
Product Overview
AO-080/42479416 (CAS 650593-44-5), with molecular formula C18H15ClN6OS and molecular weight 398.07 g/mol. IUPAC: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-chlorophenyl)quinazolin-4-one.
Chemical Property Profile of AO-080/42479416
Property Insights of AO-080/42479416
The XLogP value of 2.94512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-080/42479416. The TPSA of 91.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42479416. Following Lipinski's Rule of Five, AO-080/42479416 has 1 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-080/42479416?
The CAS number of AO-080/42479416 is 650593-44-5.
What is the molecular formula of AO-080/42479416?
The molecular formula of AO-080/42479416 is C18H15ClN6OS.
What is the molecular weight of AO-080/42479416?
The molecular weight of AO-080/42479416 is 398.07 g/mol.
Where can I buy AO-080/42479416?
You can request a quote for AO-080/42479416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479416?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.