CTK4H0062
TL;DR: CTK4H0062 (CAS 33165-28-5) is a chemical compound with molecular formula C21H31N5O4 and molecular weight 417.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3,7-dimethylocta-2,6-dienyl)piperazin-1-yl]-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide
Also Known As: 5-Nitro-2-furaldehyde N'-geranylpiperazinoacetylhydrazone, 2-Furaldehyde, 2-(4-geranylpiperazinylacetyl)hydrazono-5-nitro-, 5-NITRO-2-FURALDEHYDE N'-GERANYLPIPERAZIN-1-YLACETYLHYDRAZONE, 2-Furaldehyde, 5-nitro-, (4-(trans-3,7-dimethyl-2,6-octadienyl)piperazinylacetyl)hydrazone, 1-Piperazineacetic acid, 4-(3,7-dimethyl-2,6-octadienyl)-, (5-nitrofurfurylidene)hydrazide, (E)-
| Molecular Formula | C21H31N5O4 |
|---|---|
| Molecular Weight | 417.24 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.2376 |
| Heavy Atoms | 30 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 33165-28-5 |
|---|---|
| SMILES | CC(=CCCC(=CCN1CCN(CC1)CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])C)C |
| InChIKey | GUJKBBOGALTPCN-UHFFFAOYSA-N |
Product Overview
CTK4H0062 (CAS 33165-28-5), with molecular formula C21H31N5O4 and molecular weight 417.24 g/mol. IUPAC: 2-[4-(3,7-dimethylocta-2,6-dienyl)piperazin-1-yl]-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide.
Chemical Property Profile of CTK4H0062
Property Insights of CTK4H0062
The XLogP value of 3.3 indicates that CTK4H0062 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4H0062. Following Lipinski's Rule of Five, CTK4H0062 has 1 hydrogen bond donor(s) and 7 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 CTK4H0062?
The CAS number of CTK4H0062 is 33165-28-5.
What is the molecular formula of CTK4H0062?
The molecular formula of CTK4H0062 is C21H31N5O4.
What is the molecular weight of CTK4H0062?
The molecular weight of CTK4H0062 is 417.24 g/mol.
Where can I buy CTK4H0062?
You can request a quote for CTK4H0062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4H0062?
Yes, KEHONG BIO provides custom synthesis services for CTK4H0062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.