N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1
TL;DR: N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 (CAS 694460-40-7) is a chemical compound with molecular formula C25H19ClN2O4S and molecular weight 478.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1λ6,2-benzothiazin-4-yl)-4-chlorobenzamide
Also Known As: N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1, 4-chloro-N-[1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl]benzamide, N-(2-allyl-3-benzoyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)-4-chlorobenzamide, N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl)-4-chlorobenzamide
| Molecular Formula | C25H19ClN2O4S |
|---|---|
| Molecular Weight | 478.08 g/mol |
| LogP | 4.5118 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.0754 |
| Heavy Atoms | 33 |
| Complexity | 1381.4191 |
Chemical Identifiers
| CAS Number | 694460-40-7 |
|---|---|
| SMILES | C=CCN1C(=C(C2=CC=CC=C2S1(=O)=O)NC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4 |
Product Overview
N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 (CAS 694460-40-7), with molecular formula C25H19ClN2O4S and molecular weight 478.08 g/mol. IUPAC: N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1λ6,2-benzothiazin-4-yl)-4-chlorobenzamide.
Chemical Property Profile of N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1
Property Insights of N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1
The XLogP value of 4.5118 indicates that N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1. Following Lipinski's Rule of Five, N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 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 N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1?
The CAS number of N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 is 694460-40-7.
What is the molecular formula of N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1?
The molecular formula of N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 is C25H19ClN2O4S.
What is the molecular weight of N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1?
The molecular weight of N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 is 478.08 g/mol.
Where can I buy N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1?
You can request a quote for N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1?
Yes, KEHONG BIO provides custom synthesis services for N-(3-benzoyl-1,1-dioxo-2-prop-2-enyl-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.