AO-080/42479571
TL;DR: AO-080/42479571 (CAS 667403-38-5) is a chemical compound with molecular formula C26H27N3O3S2 and molecular weight 493.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl]benzenesulfonamide
Also Known As: AO-080/42479571, 4-tert-butyl-N-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl]benzenesulfonamide, 4-tert-butyl-N-{2-[(4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)sulfanyl]ethyl}benzenesulfonamide, 4-tert-butyl-N-{2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)thio]ethyl}benzenesulfonamide
| Molecular Formula | C26H27N3O3S2 |
|---|---|
| Molecular Weight | 493.15 g/mol |
| LogP | 4.7538 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.14938 |
| Heavy Atoms | 34 |
| Complexity | 1457.6907 |
Chemical Identifiers
| CAS Number | 667403-38-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4 |
Product Overview
AO-080/42479571 (CAS 667403-38-5), with molecular formula C26H27N3O3S2 and molecular weight 493.15 g/mol. IUPAC: 4-tert-butyl-N-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl]benzenesulfonamide.
Chemical Property Profile of AO-080/42479571
Property Insights of AO-080/42479571
The XLogP value of 4.7538 indicates that AO-080/42479571 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/42479571. Following Lipinski's Rule of Five, AO-080/42479571 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-080/42479571?
The CAS number of AO-080/42479571 is 667403-38-5.
What is the molecular formula of AO-080/42479571?
The molecular formula of AO-080/42479571 is C26H27N3O3S2.
What is the molecular weight of AO-080/42479571?
The molecular weight of AO-080/42479571 is 493.15 g/mol.
Where can I buy AO-080/42479571?
You can request a quote for AO-080/42479571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/42479571?
Yes, KEHONG BIO provides custom synthesis services for AO-080/42479571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.