ethyl 4H-1,4-benzothiazine-2-carboxylate
TL;DR: ethyl 4H-1,4-benzothiazine-2-carboxylate (CAS 21464-44-8) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4H-1,4-benzothiazine-2-carboxylate
Also Known As: ethyl 4H-1,4-benzothiazine-2-carboxylate, ChemDiv3_015683, 2-Carbethoxy-4H-(1,4)-benzothiazin, 2-ethoxycarbonyl-4H-benzo(b)(1,4)thiazine, J1.457.775K
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.6087 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 414.80386 |
Chemical Identifiers
| CAS Number | 21464-44-8 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=CC=CC=C2S1 |
Product Overview
ethyl 4H-1,4-benzothiazine-2-carboxylate (CAS 21464-44-8), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: ethyl 4H-1,4-benzothiazine-2-carboxylate.
Chemical Property Profile of ethyl 4H-1,4-benzothiazine-2-carboxylate
Property Insights of ethyl 4H-1,4-benzothiazine-2-carboxylate
The XLogP value of 2.6087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4H-1,4-benzothiazine-2-carboxylate. With a topological polar surface area (TPSA) of 38.33 Ų, ethyl 4H-1,4-benzothiazine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4H-1,4-benzothiazine-2-carboxylate has 1 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 4H-1,4-benzothiazine-2-carboxylate?
The CAS number of ethyl 4H-1,4-benzothiazine-2-carboxylate is 21464-44-8.
What is the molecular formula of ethyl 4H-1,4-benzothiazine-2-carboxylate?
The molecular formula of ethyl 4H-1,4-benzothiazine-2-carboxylate is C11H11NO2S.
What is the molecular weight of ethyl 4H-1,4-benzothiazine-2-carboxylate?
The molecular weight of ethyl 4H-1,4-benzothiazine-2-carboxylate is 221.05 g/mol.
Where can I buy ethyl 4H-1,4-benzothiazine-2-carboxylate?
You can request a quote for ethyl 4H-1,4-benzothiazine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4H-1,4-benzothiazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4H-1,4-benzothiazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.