![[3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate structure](/static/products/7206/720671-77-2.webp)
[3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate
TL;DR: [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate (CAS 720671-77-2) is a chemical compound with molecular formula C21H19NO6S and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate
Also Known As: AB131, AB-131/42301743, [3-(1,3-dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate, {[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanyl}methyl benzoate
| Molecular Formula | C21H19NO6S |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 2.762 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.09332 |
| Heavy Atoms | 29 |
| Complexity | 894.7784 |
Chemical Identifiers
| CAS Number | 720671-77-2 |
|---|---|
| SMILES | COC(=O)C(CCSCOC(=O)C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
[3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate (CAS 720671-77-2), with molecular formula C21H19NO6S and molecular weight 413.09 g/mol. IUPAC: [3-(1,3-dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate.
Chemical Property Profile of [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate
Property Insights of [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate
The XLogP value of 2.762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate. Following Lipinski's Rule of Five, [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate 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 [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate?
The CAS number of [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate is 720671-77-2.
What is the molecular formula of [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate?
The molecular formula of [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate is C21H19NO6S.
What is the molecular weight of [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate?
The molecular weight of [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate is 413.09 g/mol.
Where can I buy [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate?
You can request a quote for [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for [3-(1,3-Dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.