![(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide structure](/static/products/442/442536-08-5.png)
(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
TL;DR: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CAS 442536-08-5) is a chemical compound with molecular formula C28H28FN3O5S and molecular weight 537.17 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-(4-fluorophenyl)imino-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide, (Z)-3-(3,4-dimethoxyphenethyl)-2-((4-fluorophenyl)imino)-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide, 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)imino-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C28H28FN3O5S |
|---|---|
| Molecular Weight | 537.17 g/mol |
| LogP | 5.0545 |
| Topological Polar Surface Area | 89.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 537.17334 |
| Heavy Atoms | 38 |
| Complexity | 1332.3193 |
Chemical Identifiers
| CAS Number | 442536-08-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4OC)OC |
Product Overview
(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide (CAS 442536-08-5), with molecular formula C28H28FN3O5S and molecular weight 537.17 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)imino-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
Property Insights of (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
The XLogP value of 5.0545 indicates that (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.46 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide. Following Lipinski's Rule of Five, (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The CAS number of (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is 442536-08-5.
What is the molecular formula of (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The molecular formula of (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is C28H28FN3O5S.
What is the molecular weight of (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
The molecular weight of (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide is 537.17 g/mol.
Where can I buy (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
You can request a quote for (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)imino]-N-(2-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.