![6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one structure](/static/products/6042/6042-25-7.webp)
6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one
TL;DR: 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one (CAS 6042-25-7) is a chemical compound with molecular formula C32H37N3O4 and molecular weight 527.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one
Also Known As: 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one, 6-tert-Butyl-4-({3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-2H-1,4-benzoxazin-3(4H)-one
| Molecular Formula | C32H37N3O4 |
|---|---|
| Molecular Weight | 527.28 g/mol |
| LogP | 5.2708 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.2784 |
| Heavy Atoms | 39 |
| Complexity | 1355.5153 |
Chemical Identifiers
| CAS Number | 6042-25-7 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC(=C3)CN4C(=O)COC5=C4C=C(C=C5)C(C)(C)C |
Product Overview
6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one (CAS 6042-25-7), with molecular formula C32H37N3O4 and molecular weight 527.28 g/mol. IUPAC: 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one
Property Insights of 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one
The XLogP value of 5.2708 indicates that 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one. Following Lipinski's Rule of Five, 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one?
The CAS number of 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one is 6042-25-7.
What is the molecular formula of 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one?
The molecular formula of 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one is C32H37N3O4.
What is the molecular weight of 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one?
The molecular weight of 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one is 527.28 g/mol.
Where can I buy 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one?
You can request a quote for 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-4-[[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.