![[4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate structure](/static/products/121/1212199-43-3.png)
[4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate
TL;DR: [4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate (CAS 1212199-43-3) is a chemical compound with molecular formula C21H18N2O7 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate
Also Known As: [4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate|4-((3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)phenyl acetate
| Molecular Formula | C21H18N2O7 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 1.9216 |
| Topological Polar Surface Area | 103.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.1114 |
| Heavy Atoms | 30 |
| Complexity | 1061.5247 |
Chemical Identifiers
| CAS Number | 1212199-43-3 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC(=C(C=C4)OC)OC |
Product Overview
[4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate (CAS 1212199-43-3), with molecular formula C21H18N2O7 and molecular weight 410.11 g/mol. IUPAC: [4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate.
Chemical Property Profile of [4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate
Property Insights of [4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate
The XLogP value of 1.9216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate. The TPSA of 103.73 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate has 0 hydrogen bond donor(s) and 8 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-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate?
The CAS number of [4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate is 1212199-43-3.
What is the molecular formula of [4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate?
The molecular formula of [4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate is C21H18N2O7.
What is the molecular weight of [4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate?
The molecular weight of [4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl] acetate is 410.11 g/mol.
Where can I buy [4-[(3aR,6aS)-3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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.