BAS 00436456
TL;DR: BAS 00436456 (CAS 26485-57-4) is a chemical compound with molecular formula C16H12F3NO2 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: BAS 00436456, 2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-(3-Trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione, 4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0,2,6]dec-8-ene-3,5-dione, 4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0<2,6>]dec-8-ene-3,5-dione
| Molecular Formula | C16H12F3NO2 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.0169 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.082 |
| Heavy Atoms | 22 |
| Complexity | 679.58765 |
Chemical Identifiers
| CAS Number | 26485-57-4 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
BAS 00436456 (CAS 26485-57-4), with molecular formula C16H12F3NO2 and molecular weight 307.08 g/mol. IUPAC: 4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of BAS 00436456
Property Insights of BAS 00436456
The XLogP value of 3.0169 indicates that BAS 00436456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, BAS 00436456 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00436456 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 BAS 00436456?
The CAS number of BAS 00436456 is 26485-57-4.
What is the molecular formula of BAS 00436456?
The molecular formula of BAS 00436456 is C16H12F3NO2.
What is the molecular weight of BAS 00436456?
The molecular weight of BAS 00436456 is 307.08 g/mol.
Where can I buy BAS 00436456?
You can request a quote for BAS 00436456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00436456?
Yes, KEHONG BIO provides custom synthesis services for BAS 00436456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.