![3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate structure](/static/products/5468/5468-79-1.webp)
3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate
TL;DR: 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate (CAS 5468-79-1) is a chemical compound with molecular formula C23H15NO4S and molecular weight 401.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[12-(4-methylphenyl)sulfanyl-10-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,11,13-heptaen-8-yl] acetate
Also Known As: 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate
| Molecular Formula | C23H15NO4S |
|---|---|
| Molecular Weight | 401.07 g/mol |
| LogP | 5.54422 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.07217 |
| Heavy Atoms | 29 |
| Complexity | 1349.0786 |
Chemical Identifiers
| CAS Number | 5468-79-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC(=O)C3=C(C4=CC=CC=C4C5=C3C2=NO5)OC(=O)C |
Product Overview
3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate (CAS 5468-79-1), with molecular formula C23H15NO4S and molecular weight 401.07 g/mol. IUPAC: [12-(4-methylphenyl)sulfanyl-10-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,11,13-heptaen-8-yl] acetate.
Chemical Property Profile of 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate
Property Insights of 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate
The XLogP value of 5.54422 indicates that 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate. Following Lipinski's Rule of Five, 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate?
The CAS number of 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate is 5468-79-1.
What is the molecular formula of 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate?
The molecular formula of 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate is C23H15NO4S.
What is the molecular weight of 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate?
The molecular weight of 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate is 401.07 g/mol.
Where can I buy 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate?
You can request a quote for 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-methylphenyl)thio]-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.