CTK4D1053
TL;DR: CTK4D1053 (CAS 1620-17-3) is a chemical compound with molecular formula C19H26N2O8 and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;N-ethyl-N-[[3-[(4-nitrophenoxy)methyl]oxetan-3-yl]methyl]ethanamine
Also Known As: H.C. 6030, N,N-Diethyl-3-((p-nitrophenoxy)methyl)-3-oxetanemethylamine maleate, 3-Oxetanemethylamine, N,N-diethyl-3-((p-nitrophenoxy)methyl)-, maleate, N-ETHYL-N-[[3-[(4-NITROPHENOXY)METHYL]OXETAN-3-YL]METHYL]ETHANAMINE MALEATE
| Molecular Formula | C19H26N2O8 |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 2.04 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.1689 |
| Heavy Atoms | 29 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 1620-17-3 |
|---|---|
| SMILES | CCN(CC)CC1(COC1)COC2=CC=C(C=C2)[N+](=O)[O-].C(=CC(=O)O)C(=O)O |
| InChIKey | GYDNYDUXLAOLEL-UHFFFAOYSA-N |
Product Overview
CTK4D1053 (CAS 1620-17-3), with molecular formula C19H26N2O8 and molecular weight 410.17 g/mol. IUPAC: but-2-enedioic acid;N-ethyl-N-[[3-[(4-nitrophenoxy)methyl]oxetan-3-yl]methyl]ethanamine.
Chemical Property Profile of CTK4D1053
Property Insights of CTK4D1053
The XLogP value of 2.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4D1053. The TPSA of 142.0 Ų indicates high polarity, suggesting CTK4D1053 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4D1053 has 2 hydrogen bond donor(s) and 9 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 CTK4D1053?
The CAS number of CTK4D1053 is 1620-17-3.
What is the molecular formula of CTK4D1053?
The molecular formula of CTK4D1053 is C19H26N2O8.
What is the molecular weight of CTK4D1053?
The molecular weight of CTK4D1053 is 410.17 g/mol.
Where can I buy CTK4D1053?
You can request a quote for CTK4D1053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4D1053?
Yes, KEHONG BIO provides custom synthesis services for CTK4D1053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.