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1-[(3-Fluorophenyl)methyl]-1,4-diazepane
TL;DR: 1-[(3-Fluorophenyl)methyl]-1,4-diazepane (CAS 749830-96-4) is a chemical compound with molecular formula C12H17FN2 and molecular weight 208.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-fluorophenyl)methyl]-1,4-diazepane
Also Known As: 1-[(3-fluorophenyl)methyl]-1,4-diazepane, 1-(3-Fluoro-benzyl)-[1,4]diazepane, 1-(3-fluorobenzyl)-1,4-diazepane, BAS 12739573, 1-(3-fluorophenyl)methyl-1,4-diazepane
| Molecular Formula | C12H17FN2 |
|---|---|
| Molecular Weight | 208.14 g/mol |
| LogP | 1.621 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.13757 |
| Heavy Atoms | 15 |
| Complexity | 306.24536 |
Chemical Identifiers
| CAS Number | 749830-96-4 |
|---|---|
| SMILES | C1CNCCN(C1)CC2=CC(=CC=C2)F |
Product Overview
1-[(3-Fluorophenyl)methyl]-1,4-diazepane (CAS 749830-96-4), with molecular formula C12H17FN2 and molecular weight 208.14 g/mol. IUPAC: 1-[(3-fluorophenyl)methyl]-1,4-diazepane.
Chemical Property Profile of 1-[(3-Fluorophenyl)methyl]-1,4-diazepane
Property Insights of 1-[(3-Fluorophenyl)methyl]-1,4-diazepane
The XLogP value of 1.621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-Fluorophenyl)methyl]-1,4-diazepane. With a topological polar surface area (TPSA) of 15.27 Ų, 1-[(3-Fluorophenyl)methyl]-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Fluorophenyl)methyl]-1,4-diazepane has 1 hydrogen bond donor(s) and 2 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 1-[(3-Fluorophenyl)methyl]-1,4-diazepane?
The CAS number of 1-[(3-Fluorophenyl)methyl]-1,4-diazepane is 749830-96-4.
What is the molecular formula of 1-[(3-Fluorophenyl)methyl]-1,4-diazepane?
The molecular formula of 1-[(3-Fluorophenyl)methyl]-1,4-diazepane is C12H17FN2.
What is the molecular weight of 1-[(3-Fluorophenyl)methyl]-1,4-diazepane?
The molecular weight of 1-[(3-Fluorophenyl)methyl]-1,4-diazepane is 208.14 g/mol.
Where can I buy 1-[(3-Fluorophenyl)methyl]-1,4-diazepane?
You can request a quote for 1-[(3-Fluorophenyl)methyl]-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Fluorophenyl)methyl]-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Fluorophenyl)methyl]-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.