CTK3F0509
TL;DR: CTK3F0509 (CAS 85467-24-9) is a chemical compound with molecular formula C21H29NO8 and molecular weight 423.19 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-[[bis(2-hydroxyethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
Also Known As: but-2-enedioic acid; ethyl (1R,2S)-2-[(bis(2-hydroxyethyl)amino)methyl]-1-phenyl-cyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 2-((bis(2-hydroxyethyl)amino)methyl)-1-phenyl-, ethyl ester, cis-, (Z)-2-butenedioate (1:1) (salt)
| Molecular Formula | C21H29NO8 |
|---|---|
| Molecular Weight | 423.19 g/mol |
| LogP | 0.5058 |
| Topological Polar Surface Area | 144.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 423.18933 |
| Heavy Atoms | 30 |
| Complexity | 698.9764 |
Chemical Identifiers
| CAS Number | 85467-24-9 |
|---|---|
| SMILES | CCOC(=O)[C@@]1(C[C@@H]1CN(CCO)CCO)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3F0509 (CAS 85467-24-9), with molecular formula C21H29NO8 and molecular weight 423.19 g/mol. IUPAC: but-2-enedioic acid;cis-ethyl (1R,2S)-2-[[bis(2-hydroxyethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate.
Chemical Property Profile of CTK3F0509
Property Insights of CTK3F0509
The XLogP value of 0.5058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3F0509. The TPSA of 144.6 Ų indicates high polarity, suggesting CTK3F0509 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3F0509 has 4 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 CTK3F0509?
The CAS number of CTK3F0509 is 85467-24-9.
What is the molecular formula of CTK3F0509?
The molecular formula of CTK3F0509 is C21H29NO8.
What is the molecular weight of CTK3F0509?
The molecular weight of CTK3F0509 is 423.19 g/mol.
Where can I buy CTK3F0509?
You can request a quote for CTK3F0509 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3F0509?
Yes, KEHONG BIO provides custom synthesis services for CTK3F0509 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.