![2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/1005/1005085-44-8.webp)
2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005085-44-8) is a chemical compound with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-(4-methylphenyl)-2-phenyl-3-(thiophen-2-yl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, F1248-0039, 5-(4-methylphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 2-(4-methylphenyl)-5-phenyl-6-(2-thienyl)-2,4,5,6,3a,6a-hexahydro-4-oxa-2,5-di azapentalene-1,3-dione
| Molecular Formula | C22H18N2O3S |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 4.10762 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.10382 |
| Heavy Atoms | 28 |
| Complexity | 1017.705 |
Chemical Identifiers
| CAS Number | 1005085-44-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=CS5 |
Product Overview
2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1005085-44-8), with molecular formula C22H18N2O3S and molecular weight 390.10 g/mol. IUPAC: 5-(4-methylphenyl)-2-phenyl-3-thiophen-2-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 4.10762 indicates that 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-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 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1005085-44-8.
What is the molecular formula of 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C22H18N2O3S.
What is the molecular weight of 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 390.10 g/mol.
Where can I buy 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-phenyl-3-(thiophen-2-yl)-5-(p-tolyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.