ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
TL;DR: ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate (CAS 76273-51-3) is a chemical compound with molecular formula C13H15NO2S and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
Also Known As: BAS 09588476, ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate, J1.584.215F, Ethyl 3,7-dimethyl-4H-benzo[1,4]thiazine-2-carboxylate, 3,7-Dimethyl-4H-1,4-benzothiazine-2-carboxylic acid ethyl ester
| Molecular Formula | C13H15NO2S |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.08235 |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 76273-51-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(S1)C=C(C=C2)C)C |
| InChIKey | ITEKKCOPEXJMOQ-UHFFFAOYSA-N |
Product Overview
ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate (CAS 76273-51-3), with molecular formula C13H15NO2S and molecular weight 249.08 g/mol. IUPAC: ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate.
Chemical Property Profile of ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
Property Insights of ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
The XLogP value of 3.4 indicates that ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3,7-dimethyl-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 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate?
The CAS number of ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate is 76273-51-3.
What is the molecular formula of ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate?
The molecular formula of ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate is C13H15NO2S.
What is the molecular weight of ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate?
The molecular weight of ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate is 249.08 g/mol.
Where can I buy ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate?
You can request a quote for ethyl 3,7-dimethyl-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 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.