2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione (CAS 1005069-24-8) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione, 2-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione, 2-(5-methyl-1,2-oxazol-3-yl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 3.05632 |
| Topological Polar Surface Area | 63.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 752.637 |
Chemical Identifiers
| CAS Number | 1005069-24-8 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(=O)C3CCC(CC3C2=O)C4=CC=CC=C4 |
Product Overview
2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione (CAS 1005069-24-8), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: 2-(5-methyl-1,2-oxazol-3-yl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 3.05632 indicates that 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione 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 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione is 1005069-24-8.
What is the molecular formula of 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione is C18H18N2O3.
What is the molecular weight of 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione is 310.13 g/mol.
Where can I buy 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-methyl-3-isoxazolyl)-5-phenylhexahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.