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3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one
TL;DR: 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one (CAS 313703-00-3) is a chemical compound with molecular formula C19H18FNO and molecular weight 295.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methylamino]-5-phenylcyclohex-2-en-1-one
Also Known As: 3-[(4-fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one, BIM-0031455.P001, 2-Cyclohexenone, 3-(4-fluorobenzylamino)-5-phenyl-, 3-[(4-fluorophenyl)methylamino]-5-phenylcyclohex-2-en-1-one, 3-[(4-Fluorobenzyl)amino]-5-phenyl-2-cyclohexen-1-one #
| Molecular Formula | C19H18FNO |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.13724 |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 313703-00-3 |
|---|---|
| SMILES | C1C(CC(=O)C=C1NCC2=CC=C(C=C2)F)C3=CC=CC=C3 |
| InChIKey | HRQXVHYNFMVEKD-UHFFFAOYSA-N |
Product Overview
3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one (CAS 313703-00-3), with molecular formula C19H18FNO and molecular weight 295.14 g/mol. IUPAC: 3-[(4-fluorophenyl)methylamino]-5-phenylcyclohex-2-en-1-one.
Chemical Property Profile of 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one
Property Insights of 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one
The XLogP value of 3.6 indicates that 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one has 1 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 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one?
The CAS number of 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one is 313703-00-3.
What is the molecular formula of 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one?
The molecular formula of 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one is C19H18FNO.
What is the molecular weight of 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one?
The molecular weight of 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one is 295.14 g/mol.
Where can I buy 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one?
You can request a quote for 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Fluorobenzyl)amino]-5-phenylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.