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3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one
TL;DR: 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one (CAS 338412-05-8) is a chemical compound with molecular formula C16H9Cl2NO3 and molecular weight 333.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-3a,9b-dihydrochromeno[3,4-d][1,2]oxazol-4-one
Also Known As: 3J-936, 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one, 3-(2,6-dichlorophenyl)-3a,9b-dihydrochromeno[3,4-d][1,2]oxazol-4-one, 5-(2,6-dichlorophenyl)-3,8-dioxa-4-azatricyclo[7.4.0.0^{2,6}]trideca-1(9),4,10,12-tetraen-7-one
| Molecular Formula | C16H9Cl2NO3 |
|---|---|
| Molecular Weight | 333.00 g/mol |
| LogP | 4.0042 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.99594 |
| Heavy Atoms | 22 |
| Complexity | 798.53827 |
Chemical Identifiers
| CAS Number | 338412-05-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3C(C(=NO3)C4=C(C=CC=C4Cl)Cl)C(=O)O2 |
Product Overview
3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one (CAS 338412-05-8), with molecular formula C16H9Cl2NO3 and molecular weight 333.00 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-3a,9b-dihydrochromeno[3,4-d][1,2]oxazol-4-one.
Chemical Property Profile of 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one
Property Insights of 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one
The XLogP value of 4.0042 indicates that 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.89 Ų, 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one?
The CAS number of 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one is 338412-05-8.
What is the molecular formula of 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one?
The molecular formula of 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one is C16H9Cl2NO3.
What is the molecular weight of 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one?
The molecular weight of 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one is 333.00 g/mol.
Where can I buy 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one?
You can request a quote for 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,6-dichlorophenyl)-3a,9b-dihydro-4H-chromeno[3,4-d]isoxazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.