CAS RN: 39849-47-3
1-amino-3-(1-pyrrolidinyl)-2-propanol(SALTDATA: FREE)
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.20250228 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS39849-47-3
- Purity/Analytical Methods: >99.0%
39849-47-3 / 1-amino-3-pyrrolidin-1-ylpropan-2-ol
Basic Information
CAS
39849-47-3
Multi CAS
No
Molecular Formula
C7H16N2O
Molecular Weight
144.210000
Exact Mass
144.126263
InChI
InChI=1S/C7H16N2O/c8-5-7(10)6-9-3-1-2-4-9/h7,10H,1-6,8H2
InChIKey
DEORKGOOAYZFNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.74
TPSA
49.49
LogP / Solubility
WLOGP
-0.6
MLOGP
-0.53
XLogP3
-0.8
Consensus LogP
-0.64
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
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)
-4.02
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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