N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide
TL;DR: N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide (CAS 586994-53-8) is a chemical compound with molecular formula C29H22N2O4S and molecular weight 494.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-benzoyl-2-benzyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)benzamide
Also Known As: ChemDiv3_006146, IDI1_024056, N-(3-benzoyl-2-benzyl-1,1-dioxo-1, BRD-K88096319-001-01-2, N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide
| Molecular Formula | C29H22N2O4S |
|---|---|
| Molecular Weight | 494.13 g/mol |
| LogP | 4.8726 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.13004 |
| Heavy Atoms | 36 |
| Complexity | 1565.6357 |
Chemical Identifiers
| CAS Number | 586994-53-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(C3=CC=CC=C3S2(=O)=O)NC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5 |
Product Overview
N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide (CAS 586994-53-8), with molecular formula C29H22N2O4S and molecular weight 494.13 g/mol. IUPAC: N-(3-benzoyl-2-benzyl-1,1-dioxo-1λ6,2-benzothiazin-4-yl)benzamide.
Chemical Property Profile of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide
Property Insights of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide
The XLogP value of 4.8726 indicates that N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide 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-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide. Following Lipinski's Rule of Five, N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide 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-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide?
The CAS number of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide is 586994-53-8.
What is the molecular formula of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide?
The molecular formula of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide is C29H22N2O4S.
What is the molecular weight of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide?
The molecular weight of N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide is 494.13 g/mol.
Where can I buy N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide?
You can request a quote for N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide 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-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-benzoyl-2-benzyl-1,1-dioxido-2H-1,2-benzothiazin-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.