C18H18FN3O2
TL;DR: C18H18FN3O2 (CAS 1212129-32-2) 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.
(1S,9S)-N-(2-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
Also Known As: EiM07-12968, (1R,5R)-N-(2-fluorophenyl)-8-oxo-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide, (1S,5S)-N-(2-fluorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
| Molecular Formula | C18H18FN3O2 |
|---|---|
| Molecular Weight | 327.14 g/mol |
| LogP | 2.6386 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.1383 |
| Heavy Atoms | 24 |
| Complexity | 848.15265 |
Chemical Identifiers
| CAS Number | 1212129-32-2 |
|---|---|
| SMILES | C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)NC4=CC=CC=C4F |
Product Overview
C18H18FN3O2 (CAS 1212129-32-2), with molecular formula C18H18FN3O2 and molecular weight 327.14 g/mol. IUPAC: (1S,9S)-N-(2-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.
Chemical Property Profile of C18H18FN3O2
Property Insights of C18H18FN3O2
The XLogP value of 2.6386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H18FN3O2. With a topological polar surface area (TPSA) of 54.34 Ų, C18H18FN3O2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H18FN3O2 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 C18H18FN3O2?
The CAS number of C18H18FN3O2 is 1212129-32-2.
What is the molecular formula of C18H18FN3O2?
The molecular formula of C18H18FN3O2 is C18H18FN3O2.
What is the molecular weight of C18H18FN3O2?
The molecular weight of C18H18FN3O2 is 327.14 g/mol.
Where can I buy C18H18FN3O2?
You can request a quote for C18H18FN3O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H18FN3O2?
Yes, KEHONG BIO provides custom synthesis services for C18H18FN3O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.