![(3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione structure](/static/products/121/1212090-17-9.png)
(3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
TL;DR: (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1212090-17-9) is a chemical compound with molecular formula C18H12ClN3O6 and molecular weight 401.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
| Molecular Formula | C18H12ClN3O6 |
|---|---|
| Molecular Weight | 401.04 g/mol |
| LogP | 2.5493 |
| Topological Polar Surface Area | 111.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.04147 |
| Heavy Atoms | 28 |
| Complexity | 1036.1165 |
Chemical Identifiers
| CAS Number | 1212090-17-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)Cl |
Product Overview
(3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CAS 1212090-17-9), with molecular formula C18H12ClN3O6 and molecular weight 401.04 g/mol. IUPAC: (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Property Insights of (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
The XLogP value of 2.5493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione. The TPSA of 111.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione. Following Lipinski's Rule of Five, (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione has 0 hydrogen bond donor(s) and 7 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-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The CAS number of (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 1212090-17-9.
What is the molecular formula of (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The molecular formula of (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is C18H12ClN3O6.
What is the molecular weight of (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The molecular weight of (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is 401.04 g/mol.
Where can I buy (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
You can request a quote for (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-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 (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,6aS)-3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.