RefChem:311188
TL;DR: RefChem:311188 (CAS 17183-07-2) is a chemical compound with molecular formula C15H11ClF3NO3 and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-5-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: 2-[2-chloro-5-(trifluoromethyl)phenyl]hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, N-(6-chloro-m-(trifluoromethyl)phenyl)-, exo-(Z)-, RefChem:311188
| Molecular Formula | C15H11ClF3NO3 |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.03796 |
| Heavy Atoms | 23 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 17183-07-2 |
|---|---|
| SMILES | C1CC2C3C(C1O2)C(=O)N(C3=O)C4=C(C=CC(=C4)C(F)(F)F)Cl |
| InChIKey | RKISHCUVRHHCRT-UHFFFAOYSA-N |
Product Overview
RefChem:311188 (CAS 17183-07-2), with molecular formula C15H11ClF3NO3 and molecular weight 345.04 g/mol. IUPAC: 2-[2-chloro-5-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of RefChem:311188
Property Insights of RefChem:311188
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:311188. With a topological polar surface area (TPSA) of 46.6 Ų, RefChem:311188 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:311188 has 0 hydrogen bond donor(s) and 6 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 RefChem:311188?
The CAS number of RefChem:311188 is 17183-07-2.
What is the molecular formula of RefChem:311188?
The molecular formula of RefChem:311188 is C15H11ClF3NO3.
What is the molecular weight of RefChem:311188?
The molecular weight of RefChem:311188 is 345.04 g/mol.
Where can I buy RefChem:311188?
You can request a quote for RefChem:311188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:311188?
Yes, KEHONG BIO provides custom synthesis services for RefChem:311188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.