Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate
TL;DR: Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate (CAS 29122-98-3) 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-5-yloxy)acetate
Also Known As: Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate, ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate, 5-carbethoxymethoxybenzo-2,1,3-thiadiazole, ethyl 2-(benzo[c][1,2,5]thiadiazol-5-yloxy)acetate, 5-Ethoxycarbonylmethoxy-2,1,3-benzothiadiazole
| 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 | 29122-98-3 |
|---|---|
| SMILES | CCOC(=O)COC1=CC2=NSN=C2C=C1 |
| InChIKey | ARPTWHNULXIGDP-UHFFFAOYSA-N |
Product Overview
Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate (CAS 29122-98-3), with molecular formula C10H10N2O3S and molecular weight 238.04 g/mol. IUPAC: ethyl 2-(2,1,3-benzothiadiazol-5-yloxy)acetate.
Chemical Property Profile of Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate
Property Insights of Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate. Following Lipinski's Rule of Five, Ethyl (2,1,3-benzothiadiazol-5-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 (2,1,3-benzothiadiazol-5-yloxy)acetate?
The CAS number of Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate is 29122-98-3.
What is the molecular formula of Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate?
The molecular formula of Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate is C10H10N2O3S.
What is the molecular weight of Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate?
The molecular weight of Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate is 238.04 g/mol.
Where can I buy Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate?
You can request a quote for Ethyl (2,1,3-benzothiadiazol-5-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 (2,1,3-benzothiadiazol-5-yloxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2,1,3-benzothiadiazol-5-yloxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.