![Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate structure](/static/products/5239/523991-79-9.webp)
Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate
TL;DR: Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate (CAS 523991-79-9) is a chemical compound with molecular formula C14H15NO6S and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]sulfanylacetate
Also Known As: methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate, methyl 2-((2-((6-acetylbenzo[d][1,3]dioxol-5-yl)amino)-2-oxoethyl)thio)acetate, METHYL 2-({2-[(6-ACETYL-1,3-BENZODIOXOL-5-YL)AMINO]-2-OXOETHYL}SULFANYL)ACETATE, methyl 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]sulfanylacetate, methyl 2-{[N-(6-acetyl-2H-benzo[d]1,3-dioxolen-5-yl)carbamoyl]methylthio}aceta te
| Molecular Formula | C14H15NO6S |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.062 |
| Heavy Atoms | 22 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 523991-79-9 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1NC(=O)CSCC(=O)OC)OCO2 |
| InChIKey | XPFGAVYFXXTYPA-UHFFFAOYSA-N |
Product Overview
Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate (CAS 523991-79-9), with molecular formula C14H15NO6S and molecular weight 325.06 g/mol. IUPAC: methyl 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]sulfanylacetate.
Chemical Property Profile of Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate
Property Insights of Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate. Following Lipinski's Rule of Five, Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)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 Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate?
The CAS number of Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate is 523991-79-9.
What is the molecular formula of Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate?
The molecular formula of Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate is C14H15NO6S.
What is the molecular weight of Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate?
The molecular weight of Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate is 325.06 g/mol.
Where can I buy Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate?
You can request a quote for Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl ({2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.