CTK4D0789
TL;DR: CTK4D0789 (CAS 1613-15-6) is a chemical compound with molecular formula C19H26ClNO6 and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;N-[[3-[(2-chlorophenoxy)methyl]oxetan-3-yl]methyl]-N-ethylethanamine
Also Known As: H.C. 6024, 3-((o-Chlorophenoxy)methyl)-N,N-diethyl-3-oxetanemethylamine maleate, 3-Oxetanemethylamine, 3-((o-chlorophenoxy)methyl)-N,N-diethyl-, maleate, N-[[3-[(2-CHLOROPHENOXY)METHYL]OXETAN-3-YL]METHYL]-N-ETHYL-ETHANAMINE MALEATE
| Molecular Formula | C19H26ClNO6 |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 2.79 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 399.14487 |
| Heavy Atoms | 27 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 1613-15-6 |
|---|---|
| SMILES | CCN(CC)CC1(COC1)COC2=CC=CC=C2Cl.C(=CC(=O)O)C(=O)O |
| InChIKey | HZQCYWQMKGLYDP-UHFFFAOYSA-N |
Product Overview
CTK4D0789 (CAS 1613-15-6), with molecular formula C19H26ClNO6 and molecular weight 399.14 g/mol. IUPAC: but-2-enedioic acid;N-[[3-[(2-chlorophenoxy)methyl]oxetan-3-yl]methyl]-N-ethylethanamine.
Chemical Property Profile of CTK4D0789
Property Insights of CTK4D0789
The XLogP value of 2.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4D0789. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4D0789. Following Lipinski's Rule of Five, CTK4D0789 has 2 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 CTK4D0789?
The CAS number of CTK4D0789 is 1613-15-6.
What is the molecular formula of CTK4D0789?
The molecular formula of CTK4D0789 is C19H26ClNO6.
What is the molecular weight of CTK4D0789?
The molecular weight of CTK4D0789 is 399.14 g/mol.
Where can I buy CTK4D0789?
You can request a quote for CTK4D0789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4D0789?
Yes, KEHONG BIO provides custom synthesis services for CTK4D0789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.