3M-952
TL;DR: 3M-952 (CAS 338415-50-2) is a chemical compound with molecular formula C20H18ClF6N3O2 and molecular weight 481.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl 3-(trifluoromethyl)benzoate
Also Known As: 3M-952, 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl 3-(trifluoromethyl)benzoate, 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl 3-(trifluoromethyl)benzoate, 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl 3-(trifluoromethyl)benzenecarboxylate
| Molecular Formula | C20H18ClF6N3O2 |
|---|---|
| Molecular Weight | 481.10 g/mol |
| LogP | 4.7516 |
| Topological Polar Surface Area | 45.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.09918 |
| Heavy Atoms | 32 |
| Complexity | 959.0818 |
Chemical Identifiers
| CAS Number | 338415-50-2 |
|---|---|
| SMILES | C1CN(CCN1CCOC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3M-952 (CAS 338415-50-2), with molecular formula C20H18ClF6N3O2 and molecular weight 481.10 g/mol. IUPAC: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 3M-952
Property Insights of 3M-952
The XLogP value of 4.7516 indicates that 3M-952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.67 Ų, 3M-952 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3M-952 has 0 hydrogen bond donor(s) and 5 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 3M-952?
The CAS number of 3M-952 is 338415-50-2.
What is the molecular formula of 3M-952?
The molecular formula of 3M-952 is C20H18ClF6N3O2.
What is the molecular weight of 3M-952?
The molecular weight of 3M-952 is 481.10 g/mol.
Where can I buy 3M-952?
You can request a quote for 3M-952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3M-952?
Yes, KEHONG BIO provides custom synthesis services for 3M-952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.