2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate
TL;DR: 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate (CAS 434296-64-7) is a chemical compound with molecular formula C21H19NO5S and molecular weight 397.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] 4-methylbenzenesulfonate
Also Known As: 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate, [2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] 4-methylbenzenesulfonate, 2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)phenyl 4-methylbenzenesulfonate
| Molecular Formula | C21H19NO5S |
|---|---|
| Molecular Weight | 397.10 g/mol |
| LogP | 3.21832 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.0984 |
| Heavy Atoms | 28 |
| Complexity | 1046.2297 |
Chemical Identifiers
| CAS Number | 434296-64-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N3C(=O)C4CC=CCC4C3=O |
Product Overview
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate (CAS 434296-64-7), with molecular formula C21H19NO5S and molecular weight 397.10 g/mol. IUPAC: [2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate
Property Insights of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate
The XLogP value of 3.21832 indicates that 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 5 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 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate?
The CAS number of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate is 434296-64-7.
What is the molecular formula of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate?
The molecular formula of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate is C21H19NO5S.
What is the molecular weight of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate?
The molecular weight of 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate is 397.10 g/mol.
Where can I buy 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate?
You can request a quote for 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.