![diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate structure](/static/products/105/105897-10-7.png)
diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate
TL;DR: diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate (CAS 105897-10-7) is a chemical compound with molecular formula C28H24N2O6 and molecular weight 484.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[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]propanedioate
Also Known As: diethyl {5-[(4-methylphenyl)amino]-6-oxo-6H-anthra[1,9-cd]isoxazol-3-yl}malonate, diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate, DIETHYL 2-[6-OXO-5-(4-TOLUIDINO)-6H-ANTHRA[1,9-CD]ISOXAZOL-3-YL]MALONATE, diethyl {(5E)-6-hydroxy-5-[(4-methylphenyl)imino]-5H-anthra[1,9-cd][1,2]oxazol-3-yl}propanedioate
| Molecular Formula | C28H24N2O6 |
|---|---|
| Molecular Weight | 484.16 g/mol |
| LogP | 5.30102 |
| Topological Polar Surface Area | 107.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 484.16342 |
| Heavy Atoms | 36 |
| Complexity | 1484.756 |
Chemical Identifiers
| CAS Number | 105897-10-7 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC(=C2C3=C(C4=CC=CC=C4C2=O)ON=C13)NC5=CC=C(C=C5)C)C(=O)OCC |
Product Overview
diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate (CAS 105897-10-7), with molecular formula C28H24N2O6 and molecular weight 484.16 g/mol. IUPAC: diethyl 2-[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]propanedioate.
Chemical Property Profile of diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate
Property Insights of diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate
The XLogP value of 5.30102 indicates that diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.73 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate. Following Lipinski's Rule of Five, diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate?
The CAS number of diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate is 105897-10-7.
What is the molecular formula of diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate?
The molecular formula of diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate is C28H24N2O6.
What is the molecular weight of diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate?
The molecular weight of diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate is 484.16 g/mol.
Where can I buy diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate?
You can request a quote for diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-(6-oxo-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-3-yl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.