CAS RN: 99445-21-3

N-METHYL-3-PYRROLIDINOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250119 20mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS99445-21-3
  • Purity/Analytical Methods: >99.0%
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99445-21-3 / 1-methylpyrrolidin-3-ol

Standard CAS: 99445-21-3 Multi CAS: No

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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