C15H13ClF3NO
TL;DR: C15H13ClF3NO (CAS 314245-30-2) 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-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]ethanone
Also Known As: 2-chloro-1-(2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)ethan-1-one, 1-Ethanone, 2-chloro-1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]-, 2-Chloro-1-[2,5-dimethyl-1-(3-trifluoromethyl-phenyl)-1H-pyrrol-3-yl]-ethanone, 2-chloro-1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]ethanone, 2-chloro-1-(2,5-dimethyl-1-(3-(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 | 688.7126 |
Chemical Identifiers
| CAS Number | 314245-30-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)CCl |
Product Overview
C15H13ClF3NO (CAS 314245-30-2), with molecular formula C15H13ClF3NO and molecular weight 315.06 g/mol. IUPAC: 2-chloro-1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]ethanone.
Chemical Property Profile of C15H13ClF3NO
Property Insights of C15H13ClF3NO
The XLogP value of 4.53444 indicates that C15H13ClF3NO is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, C15H13ClF3NO exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H13ClF3NO 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 C15H13ClF3NO?
The CAS number of C15H13ClF3NO is 314245-30-2.
What is the molecular formula of C15H13ClF3NO?
The molecular formula of C15H13ClF3NO is C15H13ClF3NO.
What is the molecular weight of C15H13ClF3NO?
The molecular weight of C15H13ClF3NO is 315.06 g/mol.
Where can I buy C15H13ClF3NO?
You can request a quote for C15H13ClF3NO directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H13ClF3NO?
Yes, KEHONG BIO provides custom synthesis services for C15H13ClF3NO and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.