![(1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one structure](/static/products/116/1164553-68-7.png)
(1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one
TL;DR: (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one (CAS 1164553-68-7) is a chemical compound with molecular formula C32H31N3O5 and molecular weight 537.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2'S,3'R,4R)-2'-(3,4-dimethoxyphenyl)-3'-(2,2-dimethylpropanoyl)-2-phenylspiro[1,3-oxazole-4,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]phthalazine]-5-one
Also Known As: (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one, (2'S,3'R,4R)-2'-(3,4-dimethoxyphenyl)-3'-(2,2-dimethylpropanoyl)-2-phenyl-2',3'-dihydro-10b'H-spiro[1,3-oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one
| Molecular Formula | C32H31N3O5 |
|---|---|
| Molecular Weight | 537.23 g/mol |
| LogP | 4.918 |
| Topological Polar Surface Area | 89.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 537.2264 |
| Heavy Atoms | 40 |
| Complexity | 1558.2157 |
Chemical Identifiers
| CAS Number | 1164553-68-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@H]1[C@@H]([C@@]2(C3N1N=CC4=CC=CC=C34)C(=O)OC(=N2)C5=CC=CC=C5)C6=CC(=C(C=C6)OC)OC |
Product Overview
(1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one (CAS 1164553-68-7), with molecular formula C32H31N3O5 and molecular weight 537.23 g/mol. IUPAC: (2'S,3'R,4R)-2'-(3,4-dimethoxyphenyl)-3'-(2,2-dimethylpropanoyl)-2-phenylspiro[1,3-oxazole-4,1'-3,10b-dihydro-2H-pyrrolo[2,1-a]phthalazine]-5-one.
Chemical Property Profile of (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one
Property Insights of (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one
The XLogP value of 4.918 indicates that (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one. Following Lipinski's Rule of Five, (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one?
The CAS number of (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one is 1164553-68-7.
What is the molecular formula of (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one?
The molecular formula of (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one is C32H31N3O5.
What is the molecular weight of (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one?
The molecular weight of (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one is 537.23 g/mol.
Where can I buy (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one?
You can request a quote for (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one?
Yes, KEHONG BIO provides custom synthesis services for (1'R,2'S,3'R)-2'-(3,4-dimethoxyphenyl)-2-phenyl-3'-pivaloyl-3',10b'-dihydro-2'H,5H-spiro[oxazole-4,1'-pyrrolo[2,1-a]phthalazin]-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.