![3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate structure](/static/products/899/899404-07-0.png)
3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate
TL;DR: 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate (CAS 899404-07-0) is a chemical compound with molecular formula C25H12ClNO5S and molecular weight 473.01 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] thiophene-2-carboxylate
Also Known As: 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd][1,2]oxazol-6-yl thiophene-2-carboxylate, 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate
| Molecular Formula | C25H12ClNO5S |
|---|---|
| Molecular Weight | 473.01 g/mol |
| LogP | 6.5313 |
| Topological Polar Surface Area | 78.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.01248 |
| Heavy Atoms | 33 |
| Complexity | 1599.9556 |
Chemical Identifiers
| CAS Number | 899404-07-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2OC(=O)C5=CC=CS5)C(=O)C=C(C4=NO3)OC6=CC=C(C=C6)Cl |
Product Overview
3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate (CAS 899404-07-0), with molecular formula C25H12ClNO5S and molecular weight 473.01 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] thiophene-2-carboxylate.
Chemical Property Profile of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate
Property Insights of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate
The XLogP value of 6.5313 indicates that 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.63 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 thiophene-2-carboxylate. Following Lipinski's Rule of Five, 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate 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 thiophene-2-carboxylate?
The CAS number of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate is 899404-07-0.
What is the molecular formula of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate?
The molecular formula of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate is C25H12ClNO5S.
What is the molecular weight of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate?
The molecular weight of 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate is 473.01 g/mol.
Where can I buy 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate?
You can request a quote for 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate 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 thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenoxy)-5-oxo-5H-anthra[1,9-cd]isoxazol-6-yl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.