ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate
TL;DR: ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate (CAS 6376-75-6) is a chemical compound with molecular formula C12H13NO3S and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
Also Known As: ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate, ChemDiv2_003164, ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate, 4H-1,4-Benzothiazine-4-acetic acid, 2,3-dihydro-3-oxo-, ethyl ester, Ethyl 2-(3-oxo-2H-benzo[b][1,4]thiazin-4(3H)-yl)acetate
| Molecular Formula | C12H13NO3S |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 1.6884 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.06161 |
| Heavy Atoms | 17 |
| Complexity | 447.1318 |
Chemical Identifiers
| CAS Number | 6376-75-6 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)CSC2=CC=CC=C21 |
Product Overview
ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate (CAS 6376-75-6), with molecular formula C12H13NO3S and molecular weight 251.06 g/mol. IUPAC: ethyl 2-(3-oxo-1,4-benzothiazin-4-yl)acetate.
Chemical Property Profile of ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate
Property Insights of ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate
The XLogP value of 1.6884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate. With a topological polar surface area (TPSA) of 46.61 Ų, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-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 (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate?
The CAS number of ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate is 6376-75-6.
What is the molecular formula of ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate?
The molecular formula of ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate is C12H13NO3S.
What is the molecular weight of ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate?
The molecular weight of ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate is 251.06 g/mol.
Where can I buy ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate?
You can request a quote for ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-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 (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.