![ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate structure](/static/products/862/862976-82-7.png)
ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate
TL;DR: ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate (CAS 862976-82-7) is a chemical compound with molecular formula C16H14N2O4S2 and molecular weight 362.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate
Also Known As: ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate, ethyl 5-({4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7,11-tetraen-11-yl}amino)-3-methylthiophene-2-carboxylate, ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methyl-thiophene-2-carboxylate, ethyl 5-(1,3-dioxa-5-thia-7-aza-2H-s-indacen-6-ylamino)-3-methyl-2-thenoate, 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methyl-2-thiophenecarboxylic acid ethyl ester
| Molecular Formula | C16H14N2O4S2 |
|---|---|
| Molecular Weight | 362.04 g/mol |
| LogP | 4.31522 |
| Topological Polar Surface Area | 69.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.0395 |
| Heavy Atoms | 24 |
| Complexity | 890.6953 |
Chemical Identifiers
| CAS Number | 862976-82-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(S1)NC2=NC3=CC4=C(C=C3S2)OCO4)C |
Product Overview
ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate (CAS 862976-82-7), with molecular formula C16H14N2O4S2 and molecular weight 362.04 g/mol. IUPAC: ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate.
Chemical Property Profile of ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate
Property Insights of ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate
The XLogP value of 4.31522 indicates that ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate has 1 hydrogen bond donor(s) and 8 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 ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate?
The CAS number of ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate is 862976-82-7.
What is the molecular formula of ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate?
The molecular formula of ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate is C16H14N2O4S2.
What is the molecular weight of ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate?
The molecular weight of ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate is 362.04 g/mol.
Where can I buy ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate?
You can request a quote for ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.