![[4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate structure](/static/products/121/1212116-41-0.png)
[4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate
TL;DR: [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate (CAS 1212116-41-0) is a chemical compound with molecular formula C19H13ClN2O5 and molecular weight 384.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate
Also Known As: [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate|4-((3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)phenyl acetate
| Molecular Formula | C19H13ClN2O5 |
|---|---|
| Molecular Weight | 384.05 g/mol |
| LogP | 2.5578 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.0513 |
| Heavy Atoms | 27 |
| Complexity | 985.8495 |
Chemical Identifiers
| CAS Number | 1212116-41-0 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=CC=C4Cl |
Product Overview
[4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate (CAS 1212116-41-0), with molecular formula C19H13ClN2O5 and molecular weight 384.05 g/mol. IUPAC: [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate.
Chemical Property Profile of [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate
Property Insights of [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate
The XLogP value of 2.5578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate. Following Lipinski's Rule of Five, [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate has 0 hydrogen bond donor(s) and 6 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 [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate?
The CAS number of [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate is 1212116-41-0.
What is the molecular formula of [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate?
The molecular formula of [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate is C19H13ClN2O5.
What is the molecular weight of [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate?
The molecular weight of [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate is 384.05 g/mol.
Where can I buy [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate?
You can request a quote for [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(3aR,6aS)-3-(2-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.