RefChem:228847
TL;DR: RefChem:228847 (CAS 112446-91-0) is a chemical compound with molecular formula C20H32Cl2N2O and molecular weight 386.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one;dihydrochloride
Also Known As: 1-Butanone, 1-(4-cyclopentylphenyl)-4-(4-methyl-1-piperazinyl)-, hydrochloride, hydrate (2:4:1), C20-H30-N2-O.2Cl-H.1/2H2-O, 1-(4-Cyclopentylphenyl)-4-(4-methyl-1-piperazinyl)-1-butanone hydrochloride hydrate (2:4:1), 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one dihydrochloride, 1-(4-Cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one--hydrogen chloride (1/2)
| Molecular Formula | C20H32Cl2N2O |
|---|---|
| Molecular Weight | 386.19 g/mol |
| LogP | 4.3981 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.18918 |
| Heavy Atoms | 25 |
| Complexity | 506.93237 |
Chemical Identifiers
| CAS Number | 112446-91-0 |
|---|---|
| SMILES | CN1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)C3CCCC3.Cl.Cl |
Product Overview
RefChem:228847 (CAS 112446-91-0), with molecular formula C20H32Cl2N2O and molecular weight 386.19 g/mol. IUPAC: 1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one;dihydrochloride.
Chemical Property Profile of RefChem:228847
Property Insights of RefChem:228847
The XLogP value of 4.3981 indicates that RefChem:228847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, RefChem:228847 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228847 has 0 hydrogen bond donor(s) and 3 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 RefChem:228847?
The CAS number of RefChem:228847 is 112446-91-0.
What is the molecular formula of RefChem:228847?
The molecular formula of RefChem:228847 is C20H32Cl2N2O.
What is the molecular weight of RefChem:228847?
The molecular weight of RefChem:228847 is 386.19 g/mol.
Where can I buy RefChem:228847?
You can request a quote for RefChem:228847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228847?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.