2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1
TL;DR: 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1 (CAS 330833-63-1) is a chemical compound with molecular formula C26H24N2O4S and molecular weight 460.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1λ6,2-benzothiazin-2-yl]-1-phenylethanone
Also Known As: 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1, 2-(3-benzoyl-4-(isopropylamino)-1,1-dioxido-2H-benzo[e][1,2]thiazin-2-yl)-1-phenylethanone, 2-[1,1-dioxido-3-(phenylcarbonyl)-4-(propan-2-ylamino)-2H-1,2-benzothiazin-2-yl]-1-phenylethanone
| Molecular Formula | C26H24N2O4S |
|---|---|
| Molecular Weight | 460.15 g/mol |
| LogP | 4.1233 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.1457 |
| Heavy Atoms | 33 |
| Complexity | 1330.9745 |
Chemical Identifiers
| CAS Number | 330833-63-1 |
|---|---|
| SMILES | CC(C)NC1=C(N(S(=O)(=O)C2=CC=CC=C21)CC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4 |
Product Overview
2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1 (CAS 330833-63-1), with molecular formula C26H24N2O4S and molecular weight 460.15 g/mol. IUPAC: 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1λ6,2-benzothiazin-2-yl]-1-phenylethanone.
Chemical Property Profile of 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1
Property Insights of 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1
The XLogP value of 4.1233 indicates that 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-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 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1. Following Lipinski's Rule of Five, 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1 has 1 hydrogen bond donor(s) and 5 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 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1?
The CAS number of 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1 is 330833-63-1.
What is the molecular formula of 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1?
The molecular formula of 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1 is C26H24N2O4S.
What is the molecular weight of 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1?
The molecular weight of 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1 is 460.15 g/mol.
Where can I buy 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1?
You can request a quote for 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-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-1,1-dioxo-4-(propan-2-ylamino)-1?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-benzoyl-1,1-dioxo-4-(propan-2-ylamino)-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.