C18H16ClF2NO
TL;DR: C18H16ClF2NO (CAS 478043-70-8) is a chemical compound with molecular formula C18H16ClF2NO and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-chloro-6-fluorophenyl)-1-methylpyrrolidin-3-yl]-(4-fluorophenyl)methanone
Also Known As: [4-(2-chloro-6-fluorophenyl)-1-methyltetrahydro-1H-pyrrol-3-yl](4-fluorophenyl)methanone, 3-(2-chloro-6-fluorophenyl)-4-(4-fluorobenzoyl)-1-methylpyrrolidine, [4-(2-chloro-6-fluorophenyl)-1-methylpyrrolidin-3-yl]-(4-fluorophenyl)methanone, [4-(2-chloro-6-fluoro-phenyl)-1-methyl-pyrrolidin-3-yl]-(4-fluorophenyl)methanone, [4-(2-Chloro-6-fluorophenyl)-1-methylpyrrolidin-3-yl](4-fluorophenyl)methanone
| Molecular Formula | C18H16ClF2NO |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 4.1463 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.08884 |
| Heavy Atoms | 23 |
| Complexity | 712.0515 |
Chemical Identifiers
| CAS Number | 478043-70-8 |
|---|---|
| SMILES | CN1CC(C(C1)C(=O)C2=CC=C(C=C2)F)C3=C(C=CC=C3Cl)F |
Product Overview
C18H16ClF2NO (CAS 478043-70-8), with molecular formula C18H16ClF2NO and molecular weight 335.09 g/mol. IUPAC: [4-(2-chloro-6-fluorophenyl)-1-methylpyrrolidin-3-yl]-(4-fluorophenyl)methanone.
Chemical Property Profile of C18H16ClF2NO
Property Insights of C18H16ClF2NO
The XLogP value of 4.1463 indicates that C18H16ClF2NO is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, C18H16ClF2NO exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H16ClF2NO 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 C18H16ClF2NO?
The CAS number of C18H16ClF2NO is 478043-70-8.
What is the molecular formula of C18H16ClF2NO?
The molecular formula of C18H16ClF2NO is C18H16ClF2NO.
What is the molecular weight of C18H16ClF2NO?
The molecular weight of C18H16ClF2NO is 335.09 g/mol.
Where can I buy C18H16ClF2NO?
You can request a quote for C18H16ClF2NO directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H16ClF2NO?
Yes, KEHONG BIO provides custom synthesis services for C18H16ClF2NO and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.