CAS RN: 98900-30-2
2-Pyrrolidinemethanol, 3-hydroxy-, hydrochloride, (2R,3S)-
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.20250221 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS98900-30-2
- Purity/Analytical Methods: >99.0%
98900-30-2 / (2R,3S)-2-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
Basic Information
CAS
98900-30-2
Multi CAS
Yes
Molecular Formula
C5H12CLNO2
Molecular Weight
153.610000
Exact Mass
153.055656
InChI
InChI=1S/C5H11NO2.ClH/c7-3-4-5(8)1-2-6-4;/h4-8H,1-3H2;1H/t4-,5+;/m1./s1
InChIKey
QOJCEWYVJOLFHN-JBUOLDKXSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.75
TPSA
52.49
LogP / Solubility
WLOGP
-0.88
MLOGP
-0.78
XLogP3
-0.88
Consensus LogP
-0.85
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
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)
-4.28
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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