CAS RN: 1782228-76-5
JNJ-5207852 dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250204 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1782228-76-5
- Purity/Analytical Methods: >99.0%
1782228-76-5 / 1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine;dihydrochloride
Basic Information
CAS
1782228-76-5
Multi CAS
No
Molecular Formula
C20H34Cl2N2O
Molecular Weight
389.400000
Exact Mass
388.204819
SMILES
C1CCN(CC1)CCCOC2=CC=C(C=C2)CN3CCCCC3.Cl.Cl
InChI
InChI=1S/C20H32N2O.2ClH/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22;;/h8-11H,1-7,12-18H2;2*1H
InChIKey
RLLXSVVZCGBIJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
110.47
TPSA
15.71
LogP / Solubility
WLOGP
4.77
MLOGP
4.22
XLogP3
4.77
Consensus LogP
4.59
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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