![methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate structure](/static/products/838/838894-74-9.png)
methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate
TL;DR: methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate (CAS 838894-74-9) is a chemical compound with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate
Also Known As: BAS 12766912, VU0507541-1, AB00689037-01, AB00689037-03, F3019-0005
| Molecular Formula | C18H16N2O4S |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 2.9148 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.08307 |
| Heavy Atoms | 25 |
| Complexity | 837.3307 |
Chemical Identifiers
| CAS Number | 838894-74-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2 |
Product Overview
methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate (CAS 838894-74-9), with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol. IUPAC: methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate
Property Insights of methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate
The XLogP value of 2.9148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate. Following Lipinski's Rule of Five, methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate has 2 hydrogen bond donor(s) and 5 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 methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate?
The CAS number of methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate is 838894-74-9.
What is the molecular formula of methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate?
The molecular formula of methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate is C18H16N2O4S.
What is the molecular weight of methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate?
The molecular weight of methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate is 356.08 g/mol.
Where can I buy methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate?
You can request a quote for methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.