![methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz structure](/static/products/6742/67426-00-0.webp)
methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz
TL;DR: methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz (CAS 67426-00-0) is a chemical compound with molecular formula C20H17NO5S and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenzoate
Also Known As: methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz, methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenzoate, Methyl 4-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-oxobutyl]sulfanyl}benzoate
| Molecular Formula | C20H17NO5S |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.08273 |
| Heavy Atoms | 27 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 67426-00-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)SCC(=O)CCN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | WISMWVDGMHNFIV-UHFFFAOYSA-N |
Product Overview
methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz (CAS 67426-00-0), with molecular formula C20H17NO5S and molecular weight 383.08 g/mol. IUPAC: methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenzoate.
Chemical Property Profile of methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz
Property Insights of methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz. Following Lipinski's Rule of Five, methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz 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 methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz?
The CAS number of methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz is 67426-00-0.
What is the molecular formula of methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz?
The molecular formula of methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz is C20H17NO5S.
What is the molecular weight of methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz?
The molecular weight of methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz is 383.08 g/mol.
Where can I buy methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz?
You can request a quote for methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[4-(1,3-dioxoisoindol-2-yl)-2-oxobutyl]sulfanylbenz and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.