![6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester structure](/static/products/197/19788-65-9.png)
6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester
TL;DR: 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester (CAS 19788-65-9) is a chemical compound with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester, Methyl (2S,5R,6R)-6-(1,3-Dioxo-2-isoindolinyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, Methyl 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate #, methyl 6-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
| Molecular Formula | C17H16N2O5S |
|---|---|
| Molecular Weight | 360.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.078 |
| Heavy Atoms | 25 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 19788-65-9 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)N3C(=O)C4=CC=CC=C4C3=O)C(=O)OC)C |
| InChIKey | OWWXDPCBRFTDJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester (CAS 19788-65-9), with molecular formula C17H16N2O5S and molecular weight 360.08 g/mol. IUPAC: methyl 6-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester
Property Insights of 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester. Following Lipinski's Rule of Five, 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester has 0 hydrogen bond donor(s) and 6 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 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester?
The CAS number of 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester is 19788-65-9.
What is the molecular formula of 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester?
The molecular formula of 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester is C17H16N2O5S.
What is the molecular weight of 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester?
The molecular weight of 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester is 360.08 g/mol.
Where can I buy 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester?
You can request a quote for 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.