CTK5H4395
TL;DR: CTK5H4395 (CAS 93981-77-2) is a chemical compound with molecular formula C23H34ClN3O4 and molecular weight 451.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyloxypropyl-[2-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl]-dimethylazanium chloride
Also Known As: 3-(ACETOXY)PROPYL[2-[[2-CYANO-3-[4-(DIETHYLAMINO)PHENYL]-1-OXOALLYL]OXY]ETHYL]DIMETHYLAMMONIUM CHLORIDE
| Molecular Formula | C23H34ClN3O4 |
|---|---|
| Molecular Weight | 451.22 g/mol |
| LogP | 0.01658 |
| Topological Polar Surface Area | 79.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 451.2238 |
| Heavy Atoms | 31 |
| Complexity | 766.0214 |
Chemical Identifiers
| CAS Number | 93981-77-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC[N+](C)(C)CCCOC(=O)C.[Cl-] |
Product Overview
CTK5H4395 (CAS 93981-77-2), with molecular formula C23H34ClN3O4 and molecular weight 451.22 g/mol. IUPAC: 3-acetyloxypropyl-[2-[2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoyl]oxyethyl]-dimethylazanium chloride.
Chemical Property Profile of CTK5H4395
Property Insights of CTK5H4395
The XLogP value of 0.01658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK5H4395. The TPSA of 79.63 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5H4395. Following Lipinski's Rule of Five, CTK5H4395 has 0 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 CTK5H4395?
The CAS number of CTK5H4395 is 93981-77-2.
What is the molecular formula of CTK5H4395?
The molecular formula of CTK5H4395 is C23H34ClN3O4.
What is the molecular weight of CTK5H4395?
The molecular weight of CTK5H4395 is 451.22 g/mol.
Where can I buy CTK5H4395?
You can request a quote for CTK5H4395 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5H4395?
Yes, KEHONG BIO provides custom synthesis services for CTK5H4395 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.