![Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate structure](/static/products/892/892843-26-4.png)
Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate
TL;DR: Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate (CAS 892843-26-4) is a chemical compound with molecular formula C17H12N2O5S and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate
Also Known As: methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate, F1822-0398, methyl 4-([1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-ylcarbamoyl)benzoate, methyl 4-({4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}carbamoyl)benzoate
| Molecular Formula | C17H12N2O5S |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 3.0639 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.0467 |
| Heavy Atoms | 25 |
| Complexity | 939.61694 |
Chemical Identifiers
| CAS Number | 892843-26-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=CC4=C(C=C3S2)OCO4 |
Product Overview
Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate (CAS 892843-26-4), with molecular formula C17H12N2O5S and molecular weight 356.05 g/mol. IUPAC: methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate.
Chemical Property Profile of Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate
Property Insights of Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate
The XLogP value of 3.0639 indicates that Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate 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-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate?
The CAS number of Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate is 892843-26-4.
What is the molecular formula of Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate?
The molecular formula of Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate is C17H12N2O5S.
What is the molecular weight of Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate?
The molecular weight of Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate is 356.05 g/mol.
Where can I buy Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate?
You can request a quote for Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)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-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylcarbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.