5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione
TL;DR: 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione (CAS 22353-86-2) is a chemical compound with molecular formula C15H10N2O3S and molecular weight 298.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-3-thiophen-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: J1.392.910F, 5-Phenyl-3-(2-thienyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5H,6ah)-dione, 5-Phenyl-3-(2-thienyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5H,6ah)-dione #, 5-Phenyl-3-(2-thienyl)-3a,6a-dihydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione, 5-Phenyl-3-(2-thienyl)-3a,6a-dihydro-5H-pyrrolo[3,4-d]isoxazole-4,6-dione
| Molecular Formula | C15H10N2O3S |
|---|---|
| Molecular Weight | 298.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.0412 |
| Heavy Atoms | 21 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 22353-86-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=CC=CS4 |
| InChIKey | VAIHBJWZXZLSIJ-UHFFFAOYSA-N |
Product Overview
5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione (CAS 22353-86-2), with molecular formula C15H10N2O3S and molecular weight 298.04 g/mol. IUPAC: 5-phenyl-3-thiophen-2-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione
Property Insights of 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione. Following Lipinski's Rule of Five, 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-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 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione?
The CAS number of 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione is 22353-86-2.
What is the molecular formula of 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione?
The molecular formula of 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione is C15H10N2O3S.
What is the molecular weight of 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione?
The molecular weight of 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione is 298.04 g/mol.
Where can I buy 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione?
You can request a quote for 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-3-(2-thienyl)-3a,6a-dihydropyrrolo(3,4-d)isoxazole-4,6(5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.