ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate
TL;DR: ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate (CAS 28863-86-7) is a chemical compound with molecular formula C17H15NO2S and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate
Also Known As: ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate, 4H-1,4-Benzothiazine-2-carboxylic acid, 3-phenyl-, ethyl ester, 4h-1,4-benzothiazine-2-carboxylic acid,3-phenyl-,ethyl ester, Ethyl 9-phenyl-7-thia-10-azabicyclo[4.4.0]deca-1,3,5,8-tetraene-8-carboxylate
| Molecular Formula | C17H15NO2S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 4.1361 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.08234 |
| Heavy Atoms | 21 |
| Complexity | 694.9461 |
Chemical Identifiers
| CAS Number | 28863-86-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=CC=CC=C2S1)C3=CC=CC=C3 |
Product Overview
ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate (CAS 28863-86-7), with molecular formula C17H15NO2S and molecular weight 297.08 g/mol. IUPAC: ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate.
Chemical Property Profile of ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate
Property Insights of ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate
The XLogP value of 4.1361 indicates that ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-phenyl-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 3-phenyl-4H-1,4-benzothiazine-2-carboxylate?
The CAS number of ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate is 28863-86-7.
What is the molecular formula of ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate?
The molecular formula of ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate is C17H15NO2S.
What is the molecular weight of ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate?
The molecular weight of ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate is 297.08 g/mol.
Where can I buy ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate?
You can request a quote for ethyl 3-phenyl-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 3-phenyl-4H-1,4-benzothiazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-phenyl-4H-1,4-benzothiazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.