Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate
TL;DR: Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate (CAS 7501-67-9) is a chemical compound with molecular formula C19H27NO5S and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate
Also Known As: NCIOpen2_007609, ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate, 1,2-Benzisothiazole-2(3H)-aceticacid, a-octyl-3-oxo-, ethyl ester, 1,1-dioxide, Ethyl 2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)decanoate
| Molecular Formula | C19H27NO5S |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 381.16098 |
| Heavy Atoms | 26 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 7501-67-9 |
|---|---|
| SMILES | CCCCCCCCC(C(=O)OCC)N1C(=O)C2=CC=CC=C2S1(=O)=O |
| InChIKey | YWJNGQZJZZJQAS-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate (CAS 7501-67-9), with molecular formula C19H27NO5S and molecular weight 381.16 g/mol. IUPAC: ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate.
Chemical Property Profile of Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate
Property Insights of Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate
The XLogP value of 4.9 indicates that Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate. Following Lipinski's Rule of Five, Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate has 0 hydrogen bond donor(s) and 5 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-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate?
The CAS number of Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate is 7501-67-9.
What is the molecular formula of Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate?
The molecular formula of Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate is C19H27NO5S.
What is the molecular weight of Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate?
The molecular weight of Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate is 381.16 g/mol.
Where can I buy Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate?
You can request a quote for Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)decanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.