![3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate structure](/static/products/899/899396-13-5.png)
3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate
TL;DR: 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate (CAS 899396-13-5) is a chemical compound with molecular formula C28H16ClNO6 and molecular weight 497.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[12-(4-chlorophenoxy)-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] 4-methoxybenzoate
Also Known As: 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd][1,2]oxazol-6-yl 4-methoxybenzoate, 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate
| Molecular Formula | C28H16ClNO6 |
|---|---|
| Molecular Weight | 497.07 g/mol |
| LogP | 6.4784 |
| Topological Polar Surface Area | 87.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.06662 |
| Heavy Atoms | 36 |
| Complexity | 1701.0114 |
Chemical Identifiers
| CAS Number | 899396-13-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=C3C(=O)C=C(C4=NOC(=C34)C5=CC=CC=C52)OC6=CC=C(C=C6)Cl |
Product Overview
3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate (CAS 899396-13-5), with molecular formula C28H16ClNO6 and molecular weight 497.07 g/mol. IUPAC: [12-(4-chlorophenoxy)-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] 4-methoxybenzoate.
Chemical Property Profile of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate
Property Insights of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate
The XLogP value of 6.4784 indicates that 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate. Following Lipinski's Rule of Five, 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate has 0 hydrogen bond donor(s) and 7 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-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate?
The CAS number of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate is 899396-13-5.
What is the molecular formula of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate?
The molecular formula of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate is C28H16ClNO6.
What is the molecular weight of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate?
The molecular weight of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate is 497.07 g/mol.
Where can I buy 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate?
You can request a quote for 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.