ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate
TL;DR: ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate (CAS 885459-18-7) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate
Also Known As: ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate, Ethyl 2H-1,4-benzothiazin-3-ylacetate, NCI60_011292, Ethyl 2-(2H-benzo[b][1,4]thiazin-3-yl)acetate, 2H-1,4-benzothiazine-3-acetic acid, ethyl ester
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 885459-18-7 |
|---|---|
| SMILES | CCOC(=O)CC1=NC2=CC=CC=C2SC1 |
| InChIKey | IOUCNRJGEKPBCN-UHFFFAOYSA-N |
Product Overview
ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate (CAS 885459-18-7), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate.
Chemical Property Profile of ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate
Property Insights of ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate has 0 hydrogen bond donor(s) and 4 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-(2H-1,4-benzothiazin-3-yl)acetate?
The CAS number of ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate is 885459-18-7.
What is the molecular formula of ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate?
The molecular formula of ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate is C12H13NO2S.
What is the molecular weight of ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate?
The molecular weight of ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate is 235.07 g/mol.
Where can I buy ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate?
You can request a quote for ethyl 2-(2H-1,4-benzothiazin-3-yl)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-(2H-1,4-benzothiazin-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2H-1,4-benzothiazin-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.