CI-383 free base
TL;DR: CI-383 free base (CAS 13977-90-7) is a chemical compound with molecular formula C18H30N2OS and molecular weight 322.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(2-propylsulfanylphenyl)piperazin-1-yl]pentan-1-ol
Also Known As: CI-383 free base, 4-(2-(Propylthio)phenyl)-1-piperazinepentanol, 1-Piperazinepentanol, 4-(2-(propylthio)phenyl)-, 1-Piperazinepentanol, 4-(O-(propylthio)phenyl)-, 4-(0-(PROPYLTHIO)PHENYL)-1-PIPERAZINEPENTANOL
| Molecular Formula | C18H30N2OS |
|---|---|
| Molecular Weight | 322.21 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 322.2079 |
| Heavy Atoms | 22 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 13977-90-7 |
|---|---|
| SMILES | CCCSC1=CC=CC=C1N2CCN(CC2)CCCCCO |
| InChIKey | AMCWNYKVFCIRRT-UHFFFAOYSA-N |
Product Overview
CI-383 free base (CAS 13977-90-7), with molecular formula C18H30N2OS and molecular weight 322.21 g/mol. IUPAC: 5-[4-(2-propylsulfanylphenyl)piperazin-1-yl]pentan-1-ol.
Chemical Property Profile of CI-383 free base
Property Insights of CI-383 free base
The XLogP value of 3.6 indicates that CI-383 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, CI-383 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CI-383 free base has 1 hydrogen bond donor(s) and 4 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-383 free base?
The CAS number of CI-383 free base is 13977-90-7.
What is the molecular formula of CI-383 free base?
The molecular formula of CI-383 free base is C18H30N2OS.
What is the molecular weight of CI-383 free base?
The molecular weight of CI-383 free base is 322.21 g/mol.
Where can I buy CI-383 free base?
You can request a quote for CI-383 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CI-383 free base?
Yes, KEHONG BIO provides custom synthesis services for CI-383 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.