![(1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide structure](/static/products/4070/40705-15-5.webp)
(1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
TL;DR: (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide (CAS 40705-15-5) is a chemical compound with molecular formula C18H18FN3O2 and molecular weight 327.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R)-N-(4-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
Also Known As: (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, (1R,5R)-N-(4-fluorophenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide
| Molecular Formula | C18H18FN3O2 |
|---|---|
| Molecular Weight | 327.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.1383 |
| Heavy Atoms | 24 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 40705-15-5 |
|---|---|
| SMILES | C1[C@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)C(=O)NC4=CC=C(C=C4)F |
| InChIKey | GJUPPFYXYGAPLF-QWHCGFSZSA-N |
Product Overview
(1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide (CAS 40705-15-5), with molecular formula C18H18FN3O2 and molecular weight 327.14 g/mol. IUPAC: (1R,9R)-N-(4-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.
Chemical Property Profile of (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Property Insights of (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide. With a topological polar surface area (TPSA) of 52.7 Ų, (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-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 (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide?
The CAS number of (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide is 40705-15-5.
What is the molecular formula of (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide?
The molecular formula of (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide is C18H18FN3O2.
What is the molecular weight of (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide?
The molecular weight of (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide is 327.14 g/mol.
Where can I buy (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide?
You can request a quote for (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (1R,5R)-N-(4-Fluorophenyl)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.