3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
TL;DR: 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate (CAS 433254-67-2) is a chemical compound with molecular formula C22H21NO4 and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate
Also Known As: 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate, m-tolyl 3-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)benzoate, (3-methylphenyl) 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate, 3-METHYLPHENYL 3-(1,3-DIOXO-HEXAHYDROISOINDOL-2-YL)BENZOATE, 3-METHYLPHENYL 3-(1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)BENZOATE
| Molecular Formula | C22H21NO4 |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 3.89382 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.14706 |
| Heavy Atoms | 27 |
| Complexity | 896.03375 |
Chemical Identifiers
| CAS Number | 433254-67-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4CCCCC4C3=O |
Product Overview
3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate (CAS 433254-67-2), with molecular formula C22H21NO4 and molecular weight 363.15 g/mol. IUPAC: (3-methylphenyl) 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate.
Chemical Property Profile of 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
Property Insights of 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
The XLogP value of 3.89382 indicates that 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate 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 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The CAS number of 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is 433254-67-2.
What is the molecular formula of 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The molecular formula of 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is C22H21NO4.
What is the molecular weight of 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The molecular weight of 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is 363.15 g/mol.
Where can I buy 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
You can request a quote for 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-methylphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.