![5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione structure](/static/products/1005/1005068-62-1.webp)
5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione
TL;DR: 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione (CAS 1005068-62-1) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione, BAS 04881470, 5-methyl-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-methyl-2-phenyl-3-(thiophen-2-yl)dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-methyl-2-phenyl-3-(thiophen-2-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 1005068-62-1 |
|---|---|
| SMILES | CN1C(=O)C2C(N(OC2C1=O)C3=CC=CC=C3)C4=CC=CS4 |
| InChIKey | LFEAVWLHJKHTBV-UHFFFAOYSA-N |
Product Overview
5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione (CAS 1005068-62-1), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: 5-methyl-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione
Property Insights of 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione. Following Lipinski's Rule of Five, 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-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-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione?
The CAS number of 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione is 1005068-62-1.
What is the molecular formula of 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione?
The molecular formula of 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione is C16H14N2O3S.
What is the molecular weight of 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione?
The molecular weight of 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione is 314.07 g/mol.
Where can I buy 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione?
You can request a quote for 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-phenyl-3-thiophen-2-yl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.