Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate
TL;DR: Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate (CAS 29122-97-2) is a chemical compound with molecular formula C10H10N2O3S and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate
Also Known As: ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate, BIM-0031597.P001, Ethyl (2,1,3-benzothiadiazol-4-yloxy)acetate, 4-carbethoxymethoxybenzo-2,1,3-thiadiazole, ethyl 2-(benzo[c][1,2,5]thiadiazol-4-yloxy)acetate
| Molecular Formula | C10H10N2O3S |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.04121 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 29122-97-2 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC2=NSN=C21 |
| InChIKey | SIZDQTFXNGXUNV-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate (CAS 29122-97-2), with molecular formula C10H10N2O3S and molecular weight 238.04 g/mol. IUPAC: ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate.
Chemical Property Profile of Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate
Property Insights of Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate. Following Lipinski's Rule of Five, Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate 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 Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate?
The CAS number of Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate is 29122-97-2.
What is the molecular formula of Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate?
The molecular formula of Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate is C10H10N2O3S.
What is the molecular weight of Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate?
The molecular weight of Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate is 238.04 g/mol.
Where can I buy Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate?
You can request a quote for Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2,1,3-benzothiadiazol-4-yloxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.