(5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone
TL;DR: (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone (CAS 89808-03-7) is a chemical compound with molecular formula C18H17NO2S and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)-phenylmethanone
Also Known As: (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone, (5-ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)-phenylmethanone
| Molecular Formula | C18H17NO2S |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.098 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 89808-03-7 |
|---|---|
| SMILES | CCOC1=C2C(=CC=C1)SC(=C(N2)C)C(=O)C3=CC=CC=C3 |
| InChIKey | WRSPLFPLJFWUER-UHFFFAOYSA-N |
Product Overview
(5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone (CAS 89808-03-7), with molecular formula C18H17NO2S and molecular weight 311.10 g/mol. IUPAC: (5-ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)-phenylmethanone.
Chemical Property Profile of (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone
Property Insights of (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone
The XLogP value of 4.5 indicates that (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone 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 (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone. Following Lipinski's Rule of Five, (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone 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 (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone?
The CAS number of (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone is 89808-03-7.
What is the molecular formula of (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone?
The molecular formula of (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone is C18H17NO2S.
What is the molecular weight of (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone?
The molecular weight of (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone is 311.10 g/mol.
Where can I buy (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone?
You can request a quote for (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-Ethoxy-3-methyl-4H-1,4-benzothiazin-2-yl)(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.