benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate
TL;DR: benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate (CAS 90252-70-3) 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.
benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate
Also Known As: benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate, BAS 00720432, 4H-1,4-Benzothiazine-2-carboxylic acid, 3-methyl-, phenylmethyl ester, A1495/0065584, 3-Methyl-4H-benzo[1,4]thiazine-2-carboxylic acid benzyl ester
| Molecular Formula | C17H15NO2S |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.08234 |
| Heavy Atoms | 21 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 90252-70-3 |
|---|---|
| SMILES | CC1=C(SC2=CC=CC=C2N1)C(=O)OCC3=CC=CC=C3 |
| InChIKey | KSGVFMNCECGDNO-UHFFFAOYSA-N |
Product Overview
benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate (CAS 90252-70-3), with molecular formula C17H15NO2S and molecular weight 297.08 g/mol. IUPAC: benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate.
Chemical Property Profile of benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate
Property Insights of benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate
The XLogP value of 4.1 indicates that benzyl 3-methyl-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 benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate. Following Lipinski's Rule of Five, benzyl 3-methyl-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 benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate?
The CAS number of benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate is 90252-70-3.
What is the molecular formula of benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate?
The molecular formula of benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate is C17H15NO2S.
What is the molecular weight of benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate?
The molecular weight of benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate is 297.08 g/mol.
Where can I buy benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate?
You can request a quote for benzyl 3-methyl-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 benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.