ChemDiv1_024869
TL;DR: ChemDiv1_024869 (CAS 473801-39-7) is a chemical compound with molecular formula C16H13ClF3NO2 and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloro-5-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: ChemDiv1_024869, 2-[2-chloro-5-(trifluoromethyl)phenyl]hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-(2-chloro-5-(trifluoromethyl)phenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]-4-AZATRICYCLO[5.2.1.0(2),?]DECANE-3,5-DIONE
| Molecular Formula | C16H13ClF3NO2 |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 3.8943 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.0587 |
| Heavy Atoms | 23 |
| Complexity | 689.76715 |
Chemical Identifiers
| CAS Number | 473801-39-7 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)C4=C(C=CC(=C4)C(F)(F)F)Cl |
Product Overview
ChemDiv1_024869 (CAS 473801-39-7), with molecular formula C16H13ClF3NO2 and molecular weight 343.06 g/mol. IUPAC: 4-[2-chloro-5-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of ChemDiv1_024869
Property Insights of ChemDiv1_024869
The XLogP value of 3.8943 indicates that ChemDiv1_024869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, ChemDiv1_024869 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_024869 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 ChemDiv1_024869?
The CAS number of ChemDiv1_024869 is 473801-39-7.
What is the molecular formula of ChemDiv1_024869?
The molecular formula of ChemDiv1_024869 is C16H13ClF3NO2.
What is the molecular weight of ChemDiv1_024869?
The molecular weight of ChemDiv1_024869 is 343.06 g/mol.
Where can I buy ChemDiv1_024869?
You can request a quote for ChemDiv1_024869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024869?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.