CAS RN: 1108147-88-1
MCOPPB (triHydrochloride)
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.20251101 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1108147-88-1
- Purity/Analytical Methods: >99.0%
1108147-88-1 / 1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole;trihydrochloride
MCOPPB trihydrochloride | MCOPPB (triHydrochloride) | SIO8DBP4K7
Basic Information
CAS
1108147-88-1
Multi CAS
Yes
Molecular Formula
C26H43Cl3N4
Molecular Weight
518.000000
Exact Mass
516.255330
SMILES
CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3[C@@H]5CCCNC5.Cl.Cl.Cl
InChI
InChI=1S/C26H40N4.3ClH/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21;;;/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3;3*1H/t21-;;;/m1.../s1
InChIKey
DTIPEVOPCGEULQ-RFCADEKQSA-N
Synonyms
MCOPPB trihydrochloride
MCOPPB (triHydrochloride)
SIO8DBP4K7
1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole;trihydrochloride
1H-Benzimidazole, 1-(1-(1-methylcyclooctyl)-4-piperidinyl)-2-(3R)-3-piperidinyl-, hydrochloride (1:3)
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
9
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
146.89
TPSA
33.09
LogP / Solubility
WLOGP
6.91
MLOGP
6.12
XLogP3
6.91
Consensus LogP
6.65
Log S (ESOL)
-7.41
Class (ESOL)
Insoluble
Log S (Ali)
-8.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.97
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4
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