![(3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/121/1212197-65-3.png)
(3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1212197-65-3) is a chemical compound with molecular formula C21H16N2O4 and molecular weight 360.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
| Molecular Formula | C21H16N2O4 |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 2.4024 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.111 |
| Heavy Atoms | 27 |
| Complexity | 996.25104 |
Chemical Identifiers
| CAS Number | 1212197-65-3 |
|---|---|
| SMILES | C1C(=CC2=CC=CC=C2O1)C3=NO[C@@H]4[C@H]3C(=O)N(C4=O)CC5=CC=CC=C5 |
Product Overview
(3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1212197-65-3), with molecular formula C21H16N2O4 and molecular weight 360.11 g/mol. IUPAC: (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 2.4024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-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 (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1212197-65-3.
What is the molecular formula of (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C21H16N2O4.
What is the molecular weight of (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 360.11 g/mol.
Where can I buy (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-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 (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aS,6aR)-5-benzyl-3-(2H-chromen-3-yl)-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.