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CAS RN: 1452519-32-2
Pyrrolidin-3-ylMethanol hydrochloride hydrate
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 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1452519-32-2
- Purity/Analytical Methods: >99.0%
1452519-32-2 / pyrrolidin-3-ylmethanol;hydrate;hydrochloride
Basic Information
CAS
1452519-32-2
Multi CAS
No
Molecular Formula
C5H14ClNO2
Molecular Weight
155.620000
Exact Mass
155.071306
SMILES
C1CNCC1CO.O.Cl
InChI
InChI=1S/C5H11NO.ClH.H2O/c7-4-5-1-2-6-3-5;;/h5-7H,1-4H2;1H;1H2
InChIKey
DTRUQHLMAAARJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.92
TPSA
63.76
LogP / Solubility
WLOGP
-0.81
MLOGP
-0.72
XLogP3
-0.81
Consensus LogP
-0.78
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.25
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.12
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
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