![6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one structure](/static/products/2520/252010-31-4.webp)
6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one
TL;DR: 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one (CAS 252010-31-4) is a chemical compound with molecular formula C20H16FNO2 and molecular weight 321.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one
Also Known As: J1.208.007G, 6-ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one, 6-ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7(6h)-one, 5-Ethyl-5-(3-fluoro-phenyl)-6-oxa-10b-aza-benzo[e]azulen-4-one, 5-(3-Fluorophenyl)-5-ethyl-6-oxa-10b-azabenzo[e]azulene-4(5H)-one
| Molecular Formula | C20H16FNO2 |
|---|---|
| Molecular Weight | 321.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.11652 |
| Heavy Atoms | 24 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 252010-31-4 |
|---|---|
| SMILES | CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3O1)C4=CC(=CC=C4)F |
| InChIKey | VXUNNQUNCGLNTA-UHFFFAOYSA-N |
Product Overview
6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one (CAS 252010-31-4), with molecular formula C20H16FNO2 and molecular weight 321.12 g/mol. IUPAC: 6-ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one.
Chemical Property Profile of 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one
Property Insights of 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one
The XLogP value of 4.7 indicates that 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.2 Ų, 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one 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 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one?
The CAS number of 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one is 252010-31-4.
What is the molecular formula of 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one?
The molecular formula of 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one is C20H16FNO2.
What is the molecular weight of 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one?
The molecular weight of 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one is 321.12 g/mol.
Where can I buy 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one?
You can request a quote for 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethyl-6-(3-fluorophenyl)pyrrolo[2,1-d][1,5]benzoxazepin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.