CAS RN: 2068138-04-3
(3R,4S)-rel-4-amino-1-methylpyrrolidin-3-ol 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.20260403 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2068138-04-3
- Purity/Analytical Methods: >99.0%
2068138-04-3 / (3R,4S)-4-amino-1-methylpyrrolidin-3-ol;dihydrochloride
Basic Information
CAS
2068138-04-3
Multi CAS
No
Molecular Formula
C5H14Cl2N2O
Molecular Weight
189.080000
Exact Mass
188.048319
SMILES
CN1C[C@@H]([C@@H](C1)O)N.Cl.Cl
InChI
InChI=1S/C5H12N2O.2ClH/c1-7-2-4(6)5(8)3-7;;/h4-5,8H,2-3,6H2,1H3;2*1H/t4-,5+;;/m0../s1
InChIKey
KWYWZFXGUYRWAT-YAQRUTEZSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.98
TPSA
49.49
LogP / Solubility
WLOGP
-0.54
MLOGP
-0.47
XLogP3
-0.54
Consensus LogP
-0.52
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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