![3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one structure](/static/products/1537/153799-06-5.webp)
3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one
TL;DR: 3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 153799-06-5) is a chemical compound with molecular formula C21H12BrNO2S and molecular weight 420.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-bromo-10-(4-methylphenyl)sulfanyl-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_019265, BAS 01121567, 3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one, 3-Bromo-5-p-tolylsulfanyl-anthra[1,9-cd]isoxazol-6-one, 3-bromo-5-[(4-methylphenyl)sulfanyl]-6H-anthra[1,9-cd][1,2]oxazol-6-one
| Molecular Formula | C21H12BrNO2S |
|---|---|
| Molecular Weight | 420.98 g/mol |
| LogP | 6.26132 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.9772 |
| Heavy Atoms | 26 |
| Complexity | 1194.8384 |
Chemical Identifiers
| CAS Number | 153799-06-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C3C4=C(C5=CC=CC=C5C3=O)ON=C4C(=C2)Br |
Product Overview
3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one (CAS 153799-06-5), with molecular formula C21H12BrNO2S and molecular weight 420.98 g/mol. IUPAC: 12-bromo-10-(4-methylphenyl)sulfanyl-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-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one
Property Insights of 3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one
The XLogP value of 6.26132 indicates that 3-bromo-5-(p-tolylthio)-6H-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 43.1 Ų, 3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one has 0 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 3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one?
The CAS number of 3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one is 153799-06-5.
What is the molecular formula of 3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular formula of 3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one is C21H12BrNO2S.
What is the molecular weight of 3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one?
The molecular weight of 3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one is 420.98 g/mol.
Where can I buy 3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one?
You can request a quote for 3-bromo-5-(p-tolylthio)-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-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-5-(p-tolylthio)-6H-anthra[1,9-cd]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.