9H-045
TL;DR: 9H-045 (CAS 339106-67-1) is a chemical compound with molecular formula C19H9ClF6N4 and molecular weight 442.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine
Also Known As: 9H-045, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine, 3-chloro-2-[3-phenyl-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-1-yl]-5-(trifluoromethyl)pyridine
| Molecular Formula | C19H9ClF6N4 |
|---|---|
| Molecular Weight | 442.04 g/mol |
| LogP | 6.1735 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.042 |
| Heavy Atoms | 30 |
| Complexity | 1231.7278 |
Chemical Identifiers
| CAS Number | 339106-67-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C3=C2N=CC(=C3)C(F)(F)F)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
9H-045 (CAS 339106-67-1), with molecular formula C19H9ClF6N4 and molecular weight 442.04 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenyl-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine.
Chemical Property Profile of 9H-045
Property Insights of 9H-045
The XLogP value of 6.1735 indicates that 9H-045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 9H-045 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-045 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9H-045?
The CAS number of 9H-045 is 339106-67-1.
What is the molecular formula of 9H-045?
The molecular formula of 9H-045 is C19H9ClF6N4.
What is the molecular weight of 9H-045?
The molecular weight of 9H-045 is 442.04 g/mol.
Where can I buy 9H-045?
You can request a quote for 9H-045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-045?
Yes, KEHONG BIO provides custom synthesis services for 9H-045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.