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5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one
TL;DR: 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one (CAS 109776-46-7) is a chemical compound with molecular formula C21H14N2O2 and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(2-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: BAS 01121506, 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one, 5-(o-tolylamino)-6H-anthra[1,9-cd]isoxazol-6-one, 5-(2-toluidino)-6H-anthra[1,9-cd]isoxazol-6-one, 5-[(2-methylphenyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
| Molecular Formula | C21H14N2O2 |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.10553 |
| Heavy Atoms | 25 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 109776-46-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C=C2 |
| InChIKey | CYJXLSBGNCDSAK-UHFFFAOYSA-N |
Product Overview
5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one (CAS 109776-46-7), with molecular formula C21H14N2O2 and molecular weight 326.11 g/mol. IUPAC: 10-(2-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 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one
Property Insights of 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 5.3 indicates that 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one is 109776-46-7.
What is the molecular formula of 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one is C21H14N2O2.
What is the molecular weight of 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one is 326.11 g/mol.
Where can I buy 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 5-o-Tolylamino-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 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-o-Tolylamino-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.