![2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid structure](/static/products/2930/29308-14-3.webp)
2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid
TL;DR: 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid (CAS 29308-14-3) is a chemical compound with molecular formula C8H5ClN2O3S and molecular weight 243.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid
Also Known As: 2-[(4-chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid, 2-((4-chlorobenzo[c][1,2,5]thiadiazol-5-yl)oxy)acetic acid, 2,1,3-Benzothiadiazole Acetic Acid deriv., 4-chloro-5-carboxymethoxybenzo-2,1,3-thiadiazole, 2-((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)acetic acid
| Molecular Formula | C8H5ClN2O3S |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.97095 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 29308-14-3 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1OCC(=O)O)Cl |
| InChIKey | JOKMZWMTODEYKE-UHFFFAOYSA-N |
Product Overview
2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid (CAS 29308-14-3), with molecular formula C8H5ClN2O3S and molecular weight 243.97 g/mol. IUPAC: 2-[(4-chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid.
Chemical Property Profile of 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid
Property Insights of 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid. Following Lipinski's Rule of Five, 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid 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 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid?
The CAS number of 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid is 29308-14-3.
What is the molecular formula of 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid?
The molecular formula of 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid is C8H5ClN2O3S.
What is the molecular weight of 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid?
The molecular weight of 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid is 243.97 g/mol.
Where can I buy 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid?
You can request a quote for 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.