![methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate structure](/static/products/904/904499-44-1.png)
methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate
TL;DR: methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate (CAS 904499-44-1) is a chemical compound with molecular formula C19H18N2O6S and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(N-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]anilino)propanoate
Also Known As: methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate, methyl 3-(N-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]anilino)propanoate, methyl N-[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]-N-phenyl-beta-alaninate
| Molecular Formula | C19H18N2O6S |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 1.4274 |
| Topological Polar Surface Area | 101.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.08856 |
| Heavy Atoms | 28 |
| Complexity | 1019.7292 |
Chemical Identifiers
| CAS Number | 904499-44-1 |
|---|---|
| SMILES | COC(=O)CCN(C1=CC=CC=C1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate (CAS 904499-44-1), with molecular formula C19H18N2O6S and molecular weight 402.09 g/mol. IUPAC: methyl 3-(N-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]anilino)propanoate.
Chemical Property Profile of methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate
Property Insights of methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate
The XLogP value of 1.4274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate. The TPSA of 101.06 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate. Following Lipinski's Rule of Five, methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate 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 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate?
The CAS number of methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate is 904499-44-1.
What is the molecular formula of methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate?
The molecular formula of methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate is C19H18N2O6S.
What is the molecular weight of methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate?
The molecular weight of methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate is 402.09 g/mol.
Where can I buy methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate?
You can request a quote for methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-N-phenylacetamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.