BIM-0047249.P001
TL;DR: BIM-0047249.P001 (CAS 96599-51-8) is a chemical compound with molecular formula C17H16F3NO2 and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: BIM-0047249.P001, 5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 5,6-DIMETHYL-2-(3-TRIFLUOROMETHYL-PH)-3A,4,7,7A-TETRAHYDRO-ISOINDOLE-1,3-DIONE, 5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-4,7,3a,7a-tetrahydroisoindole-1,3-d ione
| Molecular Formula | C17H16F3NO2 |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 3.9412 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.1133 |
| Heavy Atoms | 23 |
| Complexity | 688.7938 |
Chemical Identifiers
| CAS Number | 96599-51-8 |
|---|---|
| SMILES | CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F)C |
Product Overview
BIM-0047249.P001 (CAS 96599-51-8), with molecular formula C17H16F3NO2 and molecular weight 323.11 g/mol. IUPAC: 5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of BIM-0047249.P001
Property Insights of BIM-0047249.P001
The XLogP value of 3.9412 indicates that BIM-0047249.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, BIM-0047249.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0047249.P001 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 BIM-0047249.P001?
The CAS number of BIM-0047249.P001 is 96599-51-8.
What is the molecular formula of BIM-0047249.P001?
The molecular formula of BIM-0047249.P001 is C17H16F3NO2.
What is the molecular weight of BIM-0047249.P001?
The molecular weight of BIM-0047249.P001 is 323.11 g/mol.
Where can I buy BIM-0047249.P001?
You can request a quote for BIM-0047249.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0047249.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0047249.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.