![3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid structure](/static/products/384/384796-83-2.png)
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid
TL;DR: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid (CAS 384796-83-2) is a chemical compound with molecular formula C21H21FN2O5S and molecular weight 432.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid
Also Known As: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid, (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid, (Z)-3-(3,4-dimethoxyphenethyl)-2-((3-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxylic acid
| Molecular Formula | C21H21FN2O5S |
|---|---|
| Molecular Weight | 432.12 g/mol |
| LogP | 3.4918 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.1155 |
| Heavy Atoms | 30 |
| Complexity | 981.61914 |
Chemical Identifiers
| CAS Number | 384796-83-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC(=CC=C3)F)C(=O)O)OC |
Product Overview
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid (CAS 384796-83-2), with molecular formula C21H21FN2O5S and molecular weight 432.12 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid.
Chemical Property Profile of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid
Property Insights of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid
The XLogP value of 3.4918 indicates that 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid. Following Lipinski's Rule of Five, 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid has 1 hydrogen bond donor(s) and 6 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 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid?
The CAS number of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid is 384796-83-2.
What is the molecular formula of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid?
The molecular formula of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid is C21H21FN2O5S.
What is the molecular weight of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid?
The molecular weight of 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid is 432.12 g/mol.
Where can I buy 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid?
You can request a quote for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.