CI 384 hydrochloride
TL;DR: CI 384 hydrochloride (CAS 5697-50-7) is a chemical compound with molecular formula C21H36ClN3O2S and molecular weight 429.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(2-propylsulfanylphenyl)piperazin-1-ium-1-yl]pentyl N-ethylcarbamate chloride
Also Known As: CI 384 hydrochloride, CI 384 HCl, 4-(o-Propylthiophenyl)-1-piperazinepentanol N-ethyl carbamate hydrochloride, Carbamic acid, ethyl-, 5-(4(o-(propylthio)phenyl)-1-piperazinyl)pentyl ester, hydrochloride, 5-[4-(2-propylsulfanylphenyl)piperazin-1-ium-1-yl]pentyl N-ethylcarbamate chloride
| Molecular Formula | C21H36ClN3O2S |
|---|---|
| Molecular Weight | 429.22 g/mol |
| LogP | -0.19 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 429.22168 |
| Heavy Atoms | 28 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 5697-50-7 |
|---|---|
| SMILES | CCCSC1=CC=CC=C1N2CC[NH+](CC2)CCCCCOC(=O)NCC.[Cl-] |
| InChIKey | OJUABPZJBCMRPJ-UHFFFAOYSA-N |
Product Overview
CI 384 hydrochloride (CAS 5697-50-7), with molecular formula C21H36ClN3O2S and molecular weight 429.22 g/mol. IUPAC: 5-[4-(2-propylsulfanylphenyl)piperazin-1-ium-1-yl]pentyl N-ethylcarbamate chloride.
Chemical Property Profile of CI 384 hydrochloride
Property Insights of CI 384 hydrochloride
The XLogP value of -0.19 indicates that CI 384 hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for CI 384 hydrochloride. Following Lipinski's Rule of Five, CI 384 hydrochloride has 2 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 CI 384 hydrochloride?
The CAS number of CI 384 hydrochloride is 5697-50-7.
What is the molecular formula of CI 384 hydrochloride?
The molecular formula of CI 384 hydrochloride is C21H36ClN3O2S.
What is the molecular weight of CI 384 hydrochloride?
The molecular weight of CI 384 hydrochloride is 429.22 g/mol.
Where can I buy CI 384 hydrochloride?
You can request a quote for CI 384 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CI 384 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for CI 384 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.