![[4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate structure](/static/products/6149/6149-75-3.webp)
[4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate
TL;DR: [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate (CAS 6149-75-3) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5,6-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate
Also Known As: BAS 02282844, BIM-0001728.P001, 4-(5,6-dimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl acetate, [4-(5,6-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate, A2590/0110286
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 2.8477 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 685.04205 |
Chemical Identifiers
| CAS Number | 6149-75-3 |
|---|---|
| SMILES | CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C)C |
Product Overview
[4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate (CAS 6149-75-3), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: [4-(5,6-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate.
Chemical Property Profile of [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate
Property Insights of [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate
The XLogP value of 2.8477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate. Following Lipinski's Rule of Five, [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate 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 [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate?
The CAS number of [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate is 6149-75-3.
What is the molecular formula of [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate?
The molecular formula of [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate is C18H19NO4.
What is the molecular weight of [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate?
The molecular weight of [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate is 313.13 g/mol.
Where can I buy [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate?
You can request a quote for [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-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-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-(5,6-Dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.