CAS RN: 52694-54-9
(S)-(+)-MT-45 (hydrochloride)
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.20250909 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS52694-54-9
- Purity/Analytical Methods: >99.0%
52694-54-9 / 1-cyclohexyl-4-[(1S)-1,2-diphenylethyl]piperazine;dihydrochloride
Basic Information
CAS
52694-54-9
Multi CAS
Yes
Molecular Formula
C24H34CL2N2
Molecular Weight
421.400000
Exact Mass
420.209905
InChI
InChI=1S/C24H32N2.2ClH/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23;;/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2;2*1H/t24-;;/m0../s1
InChIKey
PDTBWROWBIVSFO-ASMAMLKCSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
123.84
TPSA
6.48
LogP / Solubility
WLOGP
5.76
MLOGP
5.1
XLogP3
5.76
Consensus LogP
5.54
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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