AF-399/41752479
TL;DR: AF-399/41752479 (CAS 499183-33-4) 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.
1,8,8-trimethyl-3-[4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.2.1]octane-2,4-dione
Also Known As: AF-399/41752479, 1,8,8-trimethyl-3-[4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.2.1]octane-2,4-dione, 5,8,8-trimethyl-3-[4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.2.1]octane-2,4-dione
| Molecular Formula | C17H18F3NO3 |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 3.9009 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.12387 |
| Heavy Atoms | 24 |
| Complexity | 696.02747 |
Chemical Identifiers
| CAS Number | 499183-33-4 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)N(C2=O)C3=CC=C(C=C3)OC(F)(F)F)C)C |
Product Overview
AF-399/41752479 (CAS 499183-33-4), with molecular formula C17H18F3NO3 and molecular weight 341.12 g/mol. IUPAC: 1,8,8-trimethyl-3-[4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.2.1]octane-2,4-dione.
Chemical Property Profile of AF-399/41752479
Property Insights of AF-399/41752479
The XLogP value of 3.9009 indicates that AF-399/41752479 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, AF-399/41752479 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/41752479 has 0 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-399/41752479?
The CAS number of AF-399/41752479 is 499183-33-4.
What is the molecular formula of AF-399/41752479?
The molecular formula of AF-399/41752479 is C17H18F3NO3.
What is the molecular weight of AF-399/41752479?
The molecular weight of AF-399/41752479 is 341.12 g/mol.
Where can I buy AF-399/41752479?
You can request a quote for AF-399/41752479 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41752479?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41752479 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.