![3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione structure](/static/products/105/105897-11-8.png)
3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione
TL;DR: 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione (CAS 105897-11-8) is a chemical compound with molecular formula C26H20N2O4 and molecular weight 424.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[10-(4-methylanilino)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-12-yl]pentane-2,4-dione
Also Known As: 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione, 3-{5-[(4-methylphenyl)amino]-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl}-2,4-pentanedione, 3-{(5E)-6-hydroxy-5-[(4-methylphenyl)imino]-5H-anthra[1,9-cd][1,2]oxazol-3-yl}pentane-2,4-dione
| Molecular Formula | C26H20N2O4 |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 5.35282 |
| Topological Polar Surface Area | 89.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.1423 |
| Heavy Atoms | 32 |
| Complexity | 1416.4917 |
Chemical Identifiers
| CAS Number | 105897-11-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C(=C2)C(C(=O)C)C(=O)C |
Product Overview
3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione (CAS 105897-11-8), with molecular formula C26H20N2O4 and molecular weight 424.14 g/mol. IUPAC: 3-[10-(4-methylanilino)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-12-yl]pentane-2,4-dione.
Chemical Property Profile of 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione
Property Insights of 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione
The XLogP value of 5.35282 indicates that 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione. Following Lipinski's Rule of Five, 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione has 1 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-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione?
The CAS number of 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione is 105897-11-8.
What is the molecular formula of 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione?
The molecular formula of 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione is C26H20N2O4.
What is the molecular weight of 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione?
The molecular weight of 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione is 424.14 g/mol.
Where can I buy 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione?
You can request a quote for 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.