2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1
TL;DR: 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1 (CAS 364620-89-3) is a chemical compound with molecular formula C27H25N3O6S and molecular weight 519.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1λ6,2-benzothiazin-2-yl]-1-(4-nitrophenyl)ethanone
Also Known As: 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1, 2-(3-benzoyl-4-(diethylamino)-1,1-dioxido-2H-benzo[e][1,2]thiazin-2-yl)-1-(4-nitrophenyl)ethanone, 2-[4-(diethylamino)-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-2-yl]-1-(4-nitrophenyl)ethanone
| Molecular Formula | C27H25N3O6S |
|---|---|
| Molecular Weight | 519.15 g/mol |
| LogP | 4.3753 |
| Topological Polar Surface Area | 117.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.1464 |
| Heavy Atoms | 37 |
| Complexity | 1494.6058 |
Chemical Identifiers
| CAS Number | 364620-89-3 |
|---|---|
| SMILES | CCN(CC)C1=C(N(S(=O)(=O)C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4 |
Product Overview
2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1 (CAS 364620-89-3), with molecular formula C27H25N3O6S and molecular weight 519.15 g/mol. IUPAC: 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1λ6,2-benzothiazin-2-yl]-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1
Property Insights of 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1
The XLogP value of 4.3753 indicates that 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1. Following Lipinski's Rule of Five, 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1 has 0 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 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1?
The CAS number of 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1 is 364620-89-3.
What is the molecular formula of 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1?
The molecular formula of 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1 is C27H25N3O6S.
What is the molecular weight of 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1?
The molecular weight of 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1 is 519.15 g/mol.
Where can I buy 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1?
You can request a quote for 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-benzoyl-4-(diethylamino)-1,1-dioxo-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.