A1305/0059339
TL;DR: A1305/0059339 (CAS 331626-95-0) is a chemical compound with molecular formula C17H14F3NO2 and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: A1305/0059339, 3a-methyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-methyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, 3a-methyl-2-(3-(trifluoromethyl)phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C17H14F3NO2 |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 3.407 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.09766 |
| Heavy Atoms | 23 |
| Complexity | 754.4505 |
Chemical Identifiers
| CAS Number | 331626-95-0 |
|---|---|
| SMILES | CC12C3CC(C1C(=O)N(C2=O)C4=CC=CC(=C4)C(F)(F)F)C=C3 |
Product Overview
A1305/0059339 (CAS 331626-95-0), with molecular formula C17H14F3NO2 and molecular weight 321.10 g/mol. IUPAC: 2-methyl-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of A1305/0059339
Property Insights of A1305/0059339
The XLogP value of 3.407 indicates that A1305/0059339 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, A1305/0059339 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1305/0059339 has 0 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 A1305/0059339?
The CAS number of A1305/0059339 is 331626-95-0.
What is the molecular formula of A1305/0059339?
The molecular formula of A1305/0059339 is C17H14F3NO2.
What is the molecular weight of A1305/0059339?
The molecular weight of A1305/0059339 is 321.10 g/mol.
Where can I buy A1305/0059339?
You can request a quote for A1305/0059339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1305/0059339?
Yes, KEHONG BIO provides custom synthesis services for A1305/0059339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.