CTK5H5322
TL;DR: CTK5H5322 (CAS 94135-67-8) is a chemical compound with molecular formula C22H32ClN3O5 and molecular weight 453.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one chloride
Also Known As: 1-[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]-4-[1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)ALLYL]PIPERAZINIUM CHLORIDE
| Molecular Formula | C22H32ClN3O5 |
|---|---|
| Molecular Weight | 453.20 g/mol |
| LogP | -2.9209 |
| Topological Polar Surface Area | 72.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.20306 |
| Heavy Atoms | 31 |
| Complexity | 762.3462 |
Chemical Identifiers
| CAS Number | 94135-67-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3.[Cl-] |
Product Overview
CTK5H5322 (CAS 94135-67-8), with molecular formula C22H32ClN3O5 and molecular weight 453.20 g/mol. IUPAC: 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one chloride.
Chemical Property Profile of CTK5H5322
Property Insights of CTK5H5322
The XLogP value of -2.9209 indicates that CTK5H5322 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.75 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5H5322. Following Lipinski's Rule of Five, CTK5H5322 has 1 hydrogen bond donor(s) and 5 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 CTK5H5322?
The CAS number of CTK5H5322 is 94135-67-8.
What is the molecular formula of CTK5H5322?
The molecular formula of CTK5H5322 is C22H32ClN3O5.
What is the molecular weight of CTK5H5322?
The molecular weight of CTK5H5322 is 453.20 g/mol.
Where can I buy CTK5H5322?
You can request a quote for CTK5H5322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5H5322?
Yes, KEHONG BIO provides custom synthesis services for CTK5H5322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.