(1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate
TL;DR: (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate (CAS 496771-69-8) is a chemical compound with molecular formula C18H16N2O6S and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate
Also Known As: (1,3-dioxoisoindol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate, (1,3-dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate, (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl N-[(4-methylphenyl)sulfonyl]glycinate
| Molecular Formula | C18H16N2O6S |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.0729 |
| Heavy Atoms | 27 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 496771-69-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | IPNMCCWBLVTILZ-UHFFFAOYSA-N |
Product Overview
(1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate (CAS 496771-69-8), with molecular formula C18H16N2O6S and molecular weight 388.07 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl 2-[(4-methylphenyl)sulfonylamino]acetate.
Chemical Property Profile of (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate
Property Insights of (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate. Following Lipinski's Rule of Five, (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate has 1 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)methyl 2-(4-methylphenylsulfonamido)acetate?
The CAS number of (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate is 496771-69-8.
What is the molecular formula of (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate?
The molecular formula of (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate is C18H16N2O6S.
What is the molecular weight of (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate?
The molecular weight of (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate is 388.07 g/mol.
Where can I buy (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate?
You can request a quote for (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate 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)methyl 2-(4-methylphenylsulfonamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Dioxoisoindolin-2-yl)methyl 2-(4-methylphenylsulfonamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.