RefChem:468310
TL;DR: RefChem:468310 (CAS 790681-71-9) is a chemical compound with molecular formula C15H13ClF3NO and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]ethanone
Also Known As: 2-chloro-1-{2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethan-1-one, 2-Chloro-1-(2,5-dimethyl-1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)ethanone, 2-Chloro-1-(2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl)ethanone, 2-chloro-1-[2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]ethanone, 2-chloro-1-{2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}ethanone
| Molecular Formula | C15H13ClF3NO |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 4.53444 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.06378 |
| Heavy Atoms | 21 |
| Complexity | 671.4626 |
Chemical Identifiers
| CAS Number | 790681-71-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)C(F)(F)F)C)C(=O)CCl |
Product Overview
RefChem:468310 (CAS 790681-71-9), with molecular formula C15H13ClF3NO and molecular weight 315.06 g/mol. IUPAC: 2-chloro-1-[2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]ethanone.
Chemical Property Profile of RefChem:468310
Property Insights of RefChem:468310
The XLogP value of 4.53444 indicates that RefChem:468310 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, RefChem:468310 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:468310 has 0 hydrogen bond donor(s) and 1 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:468310?
The CAS number of RefChem:468310 is 790681-71-9.
What is the molecular formula of RefChem:468310?
The molecular formula of RefChem:468310 is C15H13ClF3NO.
What is the molecular weight of RefChem:468310?
The molecular weight of RefChem:468310 is 315.06 g/mol.
Where can I buy RefChem:468310?
You can request a quote for RefChem:468310 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:468310?
Yes, KEHONG BIO provides custom synthesis services for RefChem:468310 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.