![3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/7575/75753-57-0.webp)
3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 75753-57-0) is a chemical compound with molecular formula C28H21N3O2 and molecular weight 431.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(benzylamino)-10-(4-methylanilino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
Also Known As: ChemDiv1_019099, 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one, 3-(BENZYLAMINO)-5-(4-TOLUIDINO)-6H-ANTHRA[1,9-CD]ISOXAZOL-6-ONE, 3-(benzylamino)-5-[(4-methylphenyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
| Molecular Formula | C28H21N3O2 |
|---|---|
| Molecular Weight | 431.16 g/mol |
| LogP | 6.70332 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.1634 |
| Heavy Atoms | 33 |
| Complexity | 1502.2686 |
Chemical Identifiers
| CAS Number | 75753-57-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C(=C2)NCC6=CC=CC=C6 |
Product Overview
3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 75753-57-0), with molecular formula C28H21N3O2 and molecular weight 431.16 g/mol. IUPAC: 12-(benzylamino)-10-(4-methylanilino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one.
Chemical Property Profile of 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 6.70332 indicates that 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one. Following Lipinski's Rule of Five, 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one is 75753-57-0.
What is the molecular formula of 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one is C28H21N3O2.
What is the molecular weight of 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one is 431.16 g/mol.
Where can I buy 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylamino)-5-(p-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.