![(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide structure](/static/products/522/522649-93-0.png)
(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
TL;DR: (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide (CAS 522649-93-0) is a chemical compound with molecular formula C25H19F2N3O4S and molecular weight 495.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-((2-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamide, 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C25H19F2N3O4S |
|---|---|
| Molecular Weight | 495.11 g/mol |
| LogP | 4.854 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.10645 |
| Heavy Atoms | 35 |
| Complexity | 1333.569 |
Chemical Identifiers
| CAS Number | 522649-93-0 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=CC=C2F)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5F |
Product Overview
(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide (CAS 522649-93-0), with molecular formula C25H19F2N3O4S and molecular weight 495.11 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Property Insights of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
The XLogP value of 4.854 indicates that (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide. Following Lipinski's Rule of Five, (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide 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 (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide?
The CAS number of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide is 522649-93-0.
What is the molecular formula of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide?
The molecular formula of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide is C25H19F2N3O4S.
What is the molecular weight of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide?
The molecular weight of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide is 495.11 g/mol.
Where can I buy (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide?
You can request a quote for (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-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-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.