![(3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/116/1164529-35-4.png)
(3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1164529-35-4) is a chemical compound with molecular formula C18H13FN2O3 and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6aS)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, (3aR,6aS)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C18H13FN2O3 |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.09103 |
| Heavy Atoms | 24 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 1164529-35-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)F |
| InChIKey | XIDKLXTXDWKNPW-ZBFHGGJFSA-N |
Product Overview
(3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1164529-35-4), with molecular formula C18H13FN2O3 and molecular weight 324.09 g/mol. IUPAC: (3aR,6aS)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 3.2 indicates that (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-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 59.0 Ų, (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-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, (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-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 (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1164529-35-4.
What is the molecular formula of (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C18H13FN2O3.
What is the molecular weight of (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 324.09 g/mol.
Where can I buy (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-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 (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.