CAS RN: 950477-78-8
1-METHYL-4-HYDROXY-PIPERIDINE-4-DICARBOXYLIC ACID METHYL ESTER
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.20251002 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS950477-78-8
- Purity/Analytical Methods: >99.0%
950477-78-8 / (1S)-2-methoxy-1-phenylethanamine;hydrochloride
Basic Information
CAS
950477-78-8
Multi CAS
No
Molecular Formula
C9H14CLNO
Molecular Weight
187.660000
Exact Mass
187.076392
InChI
InChI=1S/C9H13NO.ClH/c1-11-7-9(10)8-5-3-2-4-6-8;/h2-6,9H,7,10H2,1H3;1H/t9-;/m1./s1
InChIKey
DLMKXYXAHHMDJR-SBSPUUFOSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.49
TPSA
35.25
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
1.75
Consensus LogP
1.68
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 950511-17-8 2-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/950511-17-8.gif)
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