CTK5F5069
TL;DR: CTK5F5069 (CAS 85467-28-3) is a chemical compound with molecular formula C20H27NO7 and molecular weight 393.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;cis-ethyl (1R,2S)-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 2-(((2-hydroxyethyl)methylamino)methyl)-1-phenyl-, ethyl ester, cis-, (E)-2-butenedioate (1:1) (salt)
| Molecular Formula | C20H27NO7 |
|---|---|
| Molecular Weight | 393.18 g/mol |
| LogP | 1.1433 |
| Topological Polar Surface Area | 124.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 393.17874 |
| Heavy Atoms | 28 |
| Complexity | 673.05444 |
Chemical Identifiers
| CAS Number | 85467-28-3 |
|---|---|
| SMILES | CCOC(=O)[C@@]1(C[C@@H]1CN(C)CCO)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O |
Product Overview
CTK5F5069 (CAS 85467-28-3), with molecular formula C20H27NO7 and molecular weight 393.18 g/mol. IUPAC: but-2-enedioic acid;cis-ethyl (1R,2S)-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate.
Chemical Property Profile of CTK5F5069
Property Insights of CTK5F5069
The XLogP value of 1.1433 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5F5069. The TPSA of 124.37 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5F5069. Following Lipinski's Rule of Five, CTK5F5069 has 3 hydrogen bond donor(s) and 6 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 CTK5F5069?
The CAS number of CTK5F5069 is 85467-28-3.
What is the molecular formula of CTK5F5069?
The molecular formula of CTK5F5069 is C20H27NO7.
What is the molecular weight of CTK5F5069?
The molecular weight of CTK5F5069 is 393.18 g/mol.
Where can I buy CTK5F5069?
You can request a quote for CTK5F5069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5F5069?
Yes, KEHONG BIO provides custom synthesis services for CTK5F5069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.