![(3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione structure](/static/products/116/1164480-33-4.png)
(3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
TL;DR: (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione (CAS 1164480-33-4) is a chemical compound with molecular formula C22H16Cl2N2O4 and molecular weight 442.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,6S,7R,8S,12R)-5-(2,4-dichlorophenyl)-10-(4-methylphenyl)-3,13-dioxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
Also Known As: (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione, (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(p-tolyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione
| Molecular Formula | C22H16Cl2N2O4 |
|---|---|
| Molecular Weight | 442.05 g/mol |
| LogP | 3.60772 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.0487 |
| Heavy Atoms | 30 |
| Complexity | 1132.4575 |
Chemical Identifiers
| CAS Number | 1164480-33-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]4[C@@H]5[C@H]([C@H]3O4)C(=NO5)C6=C(C=C(C=C6)Cl)Cl |
Product Overview
(3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione (CAS 1164480-33-4), with molecular formula C22H16Cl2N2O4 and molecular weight 442.05 g/mol. IUPAC: (1R,2S,6S,7R,8S,12R)-5-(2,4-dichlorophenyl)-10-(4-methylphenyl)-3,13-dioxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione.
Chemical Property Profile of (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Property Insights of (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
The XLogP value of 3.60772 indicates that (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione. Following Lipinski's Rule of Five, (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione has 0 hydrogen bond donor(s) and 5 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 (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione?
The CAS number of (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione is 1164480-33-4.
What is the molecular formula of (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione?
The molecular formula of (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione is C22H16Cl2N2O4.
What is the molecular weight of (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione?
The molecular weight of (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione is 442.05 g/mol.
Where can I buy (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione?
You can request a quote for (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aS,4R,4aS,7aR,8R,8aS)-3-(2,4-dichlorophenyl)-6-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.