![4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione structure](/static/products/898/898642-63-2.png)
4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione
TL;DR: 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione (CAS 898642-63-2) is a chemical compound with molecular formula C18H15NO4 and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione
Also Known As: 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione, 4-[2-oxo-2-(p-tolyl)ethyl]-1,4-benzoxazepine-3,5-dione, 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione, 4-(2-oxo-2-(p-tolyl)ethyl)benzo[f][1,4]oxazepine-3,5(2H,4H)-dione, 4-[2-(4-METHYLPHENYL)-2-OXOETHYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPINE-3,5-DIONE
| Molecular Formula | C18H15NO4 |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 2.23912 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.1001 |
| Heavy Atoms | 23 |
| Complexity | 779.8635 |
Chemical Identifiers
| CAS Number | 898642-63-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CN2C(=O)COC3=CC=CC=C3C2=O |
Product Overview
4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione (CAS 898642-63-2), with molecular formula C18H15NO4 and molecular weight 309.10 g/mol. IUPAC: 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione.
Chemical Property Profile of 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione
Property Insights of 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione
The XLogP value of 2.23912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione. Following Lipinski's Rule of Five, 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione has 0 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 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione?
The CAS number of 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione is 898642-63-2.
What is the molecular formula of 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione?
The molecular formula of 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione is C18H15NO4.
What is the molecular weight of 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione?
The molecular weight of 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione is 309.10 g/mol.
Where can I buy 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione?
You can request a quote for 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4-methylphenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.