![Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate structure](/static/products/899/899757-38-1.png)
Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate
TL;DR: Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate (CAS 899757-38-1) is a chemical compound with molecular formula C18H16N2O6S and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate
Also Known As: F2749-0169, methyl 4-[3-(1,1,3-trioxo-2,3-dihydro-1lambda6,2-benzothiazol-2-yl)propanamido]benzoate, methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate, methyl 4-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)propanamido)benzoate, 2-[2-(N-p-methoxycarbonylphenylcarbamoyl)ethyl]-1-oxo-3-oxo-2,3-dihydro-1H-1lambda,2-benzisothiazol-1-ium-1-olate
| Molecular Formula | C18H16N2O6S |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 1.6465 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.0729 |
| Heavy Atoms | 27 |
| Complexity | 1014.4023 |
Chemical Identifiers
| CAS Number | 899757-38-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O |
Product Overview
Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate (CAS 899757-38-1), with molecular formula C18H16N2O6S and molecular weight 388.07 g/mol. IUPAC: methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate.
Chemical Property Profile of Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate
Property Insights of Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate
The XLogP value of 1.6465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate has 1 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-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate?
The CAS number of Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate is 899757-38-1.
What is the molecular formula of Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate?
The molecular formula of Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate is C18H16N2O6S.
What is the molecular weight of Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate?
The molecular weight of Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate is 388.07 g/mol.
Where can I buy Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate?
You can request a quote for Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.