CTK9A4812
TL;DR: CTK9A4812 (CAS 78181-99-4) is a chemical compound with molecular formula C35H46ClN5O4 and molecular weight 635.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-[3-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxypropyl]-dimethylazanium chloride
Also Known As: 1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propenyl]oxy]-N-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propenyl]oxy]ethyl]-N,N-dimethyl-, chloride, 1-Propanaminium,3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-N-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-N,N-dimethyl-,chloride (1:1), 2-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-[3-[(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxypropyl]-dimethylazanium,chloride, 3-({2-Cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl}oxy)-N-[2-({2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl}oxy)ethyl]-N,N-dimethylpropan-1-aminium chloride
| Molecular Formula | C35H46ClN5O4 |
|---|---|
| Molecular Weight | 635.32 g/mol |
| LogP | 2.45006 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 635.32385 |
| Heavy Atoms | 45 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 78181-99-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OCCC[N+](C)(C)CCOC(=O)C(=CC2=CC=C(C=C2)N(CC)CC)C#N.[Cl-] |
| InChIKey | DLNMMVNCTSAPOW-UHFFFAOYSA-M |
Product Overview
CTK9A4812 (CAS 78181-99-4), with molecular formula C35H46ClN5O4 and molecular weight 635.32 g/mol. IUPAC: 2-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl-[3-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxypropyl]-dimethylazanium chloride.
Chemical Property Profile of CTK9A4812
Property Insights of CTK9A4812
The XLogP value of 2.45006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK9A4812. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK9A4812. Following Lipinski's Rule of Five, CTK9A4812 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK9A4812?
The CAS number of CTK9A4812 is 78181-99-4.
What is the molecular formula of CTK9A4812?
The molecular formula of CTK9A4812 is C35H46ClN5O4.
What is the molecular weight of CTK9A4812?
The molecular weight of CTK9A4812 is 635.32 g/mol.
Where can I buy CTK9A4812?
You can request a quote for CTK9A4812 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK9A4812?
Yes, KEHONG BIO provides custom synthesis services for CTK9A4812 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.