Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester
TL;DR: Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester (CAS 29123-12-4) is a chemical compound with molecular formula C10H9ClN2O3S and molecular weight 272.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chloro-1,2,3-benzothiadiazol-5-yl)oxy]acetate
Also Known As: 4-Chloro-5-carboxymethoxybenzo-2,1,3-thiadiazole ethyl ester, ACETIC ACID, ((4-CHLORO-2,1,3-BENZOTHIADIAZOL-5-YL)OXY)-, ETHYL ESTER, ((4-Chloro-2,1,3-benzothiadiazol-5-yl)oxy)acetic acid ethyl ester, AN-212/12294077, ethyl [(4-chloro-1,2,3-benzothiadiazol-5-yl)oxy]acetate
| Molecular Formula | C10H9ClN2O3S |
|---|---|
| Molecular Weight | 272.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.00223 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 29123-12-4 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C2=C(C=C1)SN=N2)Cl |
| InChIKey | BZMYNQUTKITCAA-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester (CAS 29123-12-4), with molecular formula C10H9ClN2O3S and molecular weight 272.00 g/mol. IUPAC: ethyl 2-[(4-chloro-1,2,3-benzothiadiazol-5-yl)oxy]acetate.
Chemical Property Profile of Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester
Property Insights of Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester 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 Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester?
The CAS number of Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester is 29123-12-4.
What is the molecular formula of Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester?
The molecular formula of Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester is C10H9ClN2O3S.
What is the molecular weight of Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester?
The molecular weight of Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester is 272.00 g/mol.
Where can I buy Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester?
You can request a quote for Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((4-chloro-2,1,3-benzothiadiazol-5-yl)oxy)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.