![(3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/121/1212422-70-2.png)
(3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1212422-70-2) is a chemical compound with molecular formula C18H12Cl2N2O3 and molecular weight 374.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
| Molecular Formula | C18H12Cl2N2O3 |
|---|---|
| Molecular Weight | 374.02 g/mol |
| LogP | 3.2815 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.0225 |
| Heavy Atoms | 25 |
| Complexity | 898.4491 |
Chemical Identifiers
| CAS Number | 1212422-70-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=C(C=C(C=C4)Cl)Cl |
Product Overview
(3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1212422-70-2), with molecular formula C18H12Cl2N2O3 and molecular weight 374.02 g/mol. IUPAC: (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 3.2815 indicates that (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-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 58.97 Ų, (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-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)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 hydrogen bond donor(s) and 4 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)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1212422-70-2.
What is the molecular formula of (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C18H12Cl2N2O3.
What is the molecular weight of (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 374.02 g/mol.
Where can I buy (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-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)-5-benzyl-3-(2,4-dichlorophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,6aS)-5-benzyl-3-(2,4-dichlorophenyl)-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.