AF-399/41981325
TL;DR: AF-399/41981325 (CAS 618400-98-9) is a chemical compound with molecular formula C17H18F3NO3 and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7,7-trimethyl-3-oxo-N-[2-(trifluoromethyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide
Also Known As: AF-399/41981325, 4,7,7-trimethyl-3-oxo-N-[2-(trifluoromethyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide, (1S,4S)-4,7,7-trimethyl-3-oxo-N-(2-(trifluoromethyl)phenyl)-2-oxabicyclo[2.2.1]heptane-1-carboxamide, 1,7,7-trimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3-oxabicyclo[2.2.1]heptane-4-carboxamide, N-[2-(trifluoromethyl)phenyl](4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptyl) carboxamide
| Molecular Formula | C17H18F3NO3 |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 3.7658 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.12387 |
| Heavy Atoms | 24 |
| Complexity | 728.03613 |
Chemical Identifiers
| CAS Number | 618400-98-9 |
|---|---|
| SMILES | CC1(C2(CCC1(OC2=O)C(=O)NC3=CC=CC=C3C(F)(F)F)C)C |
Product Overview
AF-399/41981325 (CAS 618400-98-9), with molecular formula C17H18F3NO3 and molecular weight 341.12 g/mol. IUPAC: 4,7,7-trimethyl-3-oxo-N-[2-(trifluoromethyl)phenyl]-2-oxabicyclo[2.2.1]heptane-1-carboxamide.
Chemical Property Profile of AF-399/41981325
Property Insights of AF-399/41981325
The XLogP value of 3.7658 indicates that AF-399/41981325 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, AF-399/41981325 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41981325 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 AF-399/41981325?
The CAS number of AF-399/41981325 is 618400-98-9.
What is the molecular formula of AF-399/41981325?
The molecular formula of AF-399/41981325 is C17H18F3NO3.
What is the molecular weight of AF-399/41981325?
The molecular weight of AF-399/41981325 is 341.12 g/mol.
Where can I buy AF-399/41981325?
You can request a quote for AF-399/41981325 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41981325?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41981325 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.