4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione
TL;DR: 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione (CAS 903185-87-5) is a chemical compound with molecular formula C16H12FNO3 and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-fluorophenyl)methyl]-1,4-benzoxazepine-3,5-dione
Also Known As: 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione, 4-[(2-fluorophenyl)methyl]-1,4-benzoxazepine-3,5-dione, 4-(2-fluorobenzyl)benzo[f][1,4]oxazepine-3,5(2H,4H)-dione
| Molecular Formula | C16H12FNO3 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 2.3871 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.0801 |
| Heavy Atoms | 21 |
| Complexity | 714.1732 |
Chemical Identifiers
| CAS Number | 903185-87-5 |
|---|---|
| SMILES | C1C(=O)N(C(=O)C2=CC=CC=C2O1)CC3=CC=CC=C3F |
Product Overview
4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione (CAS 903185-87-5), with molecular formula C16H12FNO3 and molecular weight 285.08 g/mol. IUPAC: 4-[(2-fluorophenyl)methyl]-1,4-benzoxazepine-3,5-dione.
Chemical Property Profile of 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione
Property Insights of 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione
The XLogP value of 2.3871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione. With a topological polar surface area (TPSA) of 46.61 Ų, 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione has 0 hydrogen bond donor(s) and 3 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-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione?
The CAS number of 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione is 903185-87-5.
What is the molecular formula of 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione?
The molecular formula of 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione is C16H12FNO3.
What is the molecular weight of 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione?
The molecular weight of 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione is 285.08 g/mol.
Where can I buy 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione?
You can request a quote for 4-(2-fluorobenzyl)-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-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-fluorobenzyl)-1,4-benzoxazepine-3,5(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.