C17H15Cl2F3N4O
TL;DR: C17H15Cl2F3N4O (CAS 1023536-42-6) is a chemical compound with molecular formula C17H15Cl2F3N4O and molecular weight 418.0575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chloro-3-pyridinyl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
Also Known As: (2-chloropyridin-3-yl)-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]methanone, 4-chloro(3-pyridyl) 4-(3-chloro-5-(trifluoromethyl)(2-pyridyl))(1,4-diazaperhydroepinyl) ketone, (2-chloro-3-pyridyl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]methanone, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(2-chloropyridine-3-carbonyl)-1,4-diazepane
Technical Specifications
| Molecular Formula | C17H15Cl2F3N4O |
| Molecular Weight | 418.0575 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.0575 Da |
| Heavy Atoms | 27 |
| Complexity | 525.0 |
| SMILES | C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)Cl)C3=C(C=C(C=N3)C(F)(F)F)Cl |
| InChIKey | LCNIOKQJCZBKKL-UHFFFAOYSA-N |
Chemical Property Profile of C17H15Cl2F3N4O
Property Insights of C17H15Cl2F3N4O
The XLogP value of 4.0 indicates that C17H15Cl2F3N4O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, C17H15Cl2F3N4O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H15Cl2F3N4O has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C17H15Cl2F3N4O?
The CAS number of C17H15Cl2F3N4O is 1023536-42-6.
What is the molecular formula of C17H15Cl2F3N4O?
The molecular formula of C17H15Cl2F3N4O is C17H15Cl2F3N4O.
What is the molecular weight of C17H15Cl2F3N4O?
The molecular weight of C17H15Cl2F3N4O is 418.0575 g/mol.
Where can I buy C17H15Cl2F3N4O?
You can request a quote for C17H15Cl2F3N4O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C17H15Cl2F3N4O?
Yes, CoreyChem provides custom synthesis services for C17H15Cl2F3N4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.