![Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate structure](/static/products/6742/67425-99-4.webp)
Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate
TL;DR: Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate (CAS 67425-99-4) is a chemical compound with molecular formula C20H18N2O5S and molecular weight 398.09 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)-3-hydroxyiminobutyl]sulfanylbenzoate
Also Known As: methyl 4-[(3E)-4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobuty, methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate
| Molecular Formula | C20H18N2O5S |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.09363 |
| Heavy Atoms | 28 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 67425-99-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)SCCC(=NO)CN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | MRWUVRKFROOQHI-UHFFFAOYSA-N |
Product Overview
Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate (CAS 67425-99-4), with molecular formula C20H18N2O5S and molecular weight 398.09 g/mol. IUPAC: methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate.
Chemical Property Profile of Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate
Property Insights of Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate. Following Lipinski's Rule of Five, Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate 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 Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate?
The CAS number of Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate is 67425-99-4.
What is the molecular formula of Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate?
The molecular formula of Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate is C20H18N2O5S.
What is the molecular weight of Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate?
The molecular weight of Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate is 398.09 g/mol.
Where can I buy Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate?
You can request a quote for Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate 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)-3-hydroxyiminobutyl]sulfanylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.