![(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide structure](/static/products/526/526205-50-5.png)
(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
TL;DR: (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide (CAS 526205-50-5) is a chemical compound with molecular formula C20H16F3N3O4S and molecular weight 451.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
Also Known As: (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide, (2Z)-3-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-4-OXO-2-{[3-(TRIFLUOROMETHYL)PHENYL]IMINO}-1,3-THIAZINANE-6-CARBOXAMIDE, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-oxo-2-((3-(trifluoromethyl)phenyl)imino)-1,3-thiazinane-6-carboxamide, 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
| Molecular Formula | C20H16F3N3O4S |
|---|---|
| Molecular Weight | 451.08 g/mol |
| LogP | 3.4412 |
| Topological Polar Surface Area | 94.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.08136 |
| Heavy Atoms | 31 |
| Complexity | 1073.8759 |
Chemical Identifiers
| CAS Number | 526205-50-5 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=CC(=C2)C(F)(F)F)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)N |
Product Overview
(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide (CAS 526205-50-5), with molecular formula C20H16F3N3O4S and molecular weight 451.08 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
Property Insights of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
The XLogP value of 3.4412 indicates that (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide. Following Lipinski's Rule of Five, (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-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)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide?
The CAS number of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide is 526205-50-5.
What is the molecular formula of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide?
The molecular formula of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide is C20H16F3N3O4S.
What is the molecular weight of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide?
The molecular weight of (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide is 451.08 g/mol.
Where can I buy (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide?
You can request a quote for (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-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)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.