1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate
TL;DR: 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate (CAS 865613-32-7) is a chemical compound with molecular formula C16H13NO7S and molecular weight 363.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl) 3,4-dimethoxybenzenesulfonate
Also Known As: AB00674644-01, (1,3-dioxoisoindol-2-yl) 3,4-dimethoxybenzenesulfonate, 1,3-dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate, 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3,4-dimethoxybenzene-1-sulfonate, F1560-0442
| Molecular Formula | C16H13NO7S |
|---|---|
| Molecular Weight | 363.04 g/mol |
| LogP | 1.6203 |
| Topological Polar Surface Area | 99.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.04126 |
| Heavy Atoms | 25 |
| Complexity | 933.19855 |
Chemical Identifiers
| CAS Number | 865613-32-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC=C3C2=O)OC |
Product Overview
1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate (CAS 865613-32-7), with molecular formula C16H13NO7S and molecular weight 363.04 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl) 3,4-dimethoxybenzenesulfonate.
Chemical Property Profile of 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate
Property Insights of 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate
The XLogP value of 1.6203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate. The TPSA of 99.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate. Following Lipinski's Rule of Five, 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate has 0 hydrogen bond donor(s) and 7 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 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate?
The CAS number of 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate is 865613-32-7.
What is the molecular formula of 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate?
The molecular formula of 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate is C16H13NO7S.
What is the molecular weight of 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate?
The molecular weight of 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate is 363.04 g/mol.
Where can I buy 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate?
You can request a quote for 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxoisoindolin-2-yl 3,4-dimethoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.