11G-947
TL;DR: 11G-947 (CAS 400075-72-1) is a chemical compound with molecular formula C21H19ClF3N5O and molecular weight 449.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-methyl-1-phenylpyrazole-4-carbaldehyde
Also Known As: 11G-947, 5-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3-methyl-1-phenylpyrazole-4-carbaldehyde, 5-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde, 5-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
| Molecular Formula | C21H19ClF3N5O |
|---|---|
| Molecular Weight | 449.12 g/mol |
| LogP | 4.38702 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.12302 |
| Heavy Atoms | 31 |
| Complexity | 1092.3849 |
Chemical Identifiers
| CAS Number | 400075-72-1 |
|---|---|
| SMILES | CC1=NN(C(=C1C=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C4=CC=CC=C4 |
Product Overview
11G-947 (CAS 400075-72-1), with molecular formula C21H19ClF3N5O and molecular weight 449.12 g/mol. IUPAC: 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-methyl-1-phenylpyrazole-4-carbaldehyde.
Chemical Property Profile of 11G-947
Property Insights of 11G-947
The XLogP value of 4.38702 indicates that 11G-947 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.26 Ų, 11G-947 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11G-947 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 11G-947?
The CAS number of 11G-947 is 400075-72-1.
What is the molecular formula of 11G-947?
The molecular formula of 11G-947 is C21H19ClF3N5O.
What is the molecular weight of 11G-947?
The molecular weight of 11G-947 is 449.12 g/mol.
Where can I buy 11G-947?
You can request a quote for 11G-947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11G-947?
Yes, KEHONG BIO provides custom synthesis services for 11G-947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.