![N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide structure](/static/products/7276/727685-99-6.webp)
N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
TL;DR: N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CAS 727685-99-6) is a chemical compound with molecular formula C17H20FNO3 and molecular weight 305.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide, A3801/0161319, N-[(4-fluorophenyl)methyl]-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide, (1S,4S)-N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide, Bicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-2-oxa-, 4-fluorobenzylamide
| Molecular Formula | C17H20FNO3 |
|---|---|
| Molecular Weight | 305.14 g/mol |
| LogP | 2.5638 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.14273 |
| Heavy Atoms | 22 |
| Complexity | 639.8091 |
Chemical Identifiers
| CAS Number | 727685-99-6 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)NCC3=CC=C(C=C3)F)C)C |
Product Overview
N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide (CAS 727685-99-6), with molecular formula C17H20FNO3 and molecular weight 305.14 g/mol. IUPAC: N-[(4-fluorophenyl)methyl]-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Property Insights of N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
The XLogP value of 2.5638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide. With a topological polar surface area (TPSA) of 55.4 Ų, N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide 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 N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The CAS number of N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is 727685-99-6.
What is the molecular formula of N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The molecular formula of N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is C17H20FNO3.
What is the molecular weight of N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
The molecular weight of N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide is 305.14 g/mol.
Where can I buy N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
You can request a quote for N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorobenzyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.