CAS RN: 99445-21-3
N-METHYL-3-PYRROLIDINOL
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.20250119 | 20mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS99445-21-3
- Purity/Analytical Methods: >99.0%
99445-21-3 / 1-methylpyrrolidin-3-ol
Basic Information
CAS
99445-21-3
Multi CAS
No
Molecular Formula
C5H11NO
Molecular Weight
101.150000
Exact Mass
101.084064
InChI
InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3
InChIKey
FLVFPAIGVBQGET-UHFFFAOYSA-N
Physical Properties
Physical Description
Colorless or pale yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.12
TPSA
23.47
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.29
XLogP3
-0.2
Consensus LogP
-0.27
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very 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)
-3.56
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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