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CAS 2970212-89-4 [(4R)-4-fluoro-2-methyl-pyrrolidin-2-yl]methanol;hydrochloride molecular structure lightbox
CAS RN: 2970212-89-4

[(4R)-4-fluoro-2-methyl-pyrrolidin-2-yl]methanol;hydrochloride

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Batchno.20260316 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
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2970212-89-4 / [(4R)-4-fluoro-2-methylpyrrolidin-2-yl]methanol;hydrochloride

[(4R)-4-fluoro-2-methyl-pyrrolidin-2-yl]methanol;hydrochloride | [(4R)-4-FLUORO-2-METHYL-PYRROLIDIN-2-YL]METHANOL HYDROCHLORIDE | MFCD35149698

Standard CAS: 2970212-89-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2970212-89-4
Multi CAS
Yes
Molecular Formula
C6H13CLFNO
Molecular Weight
169.620000
Exact Mass
169.066970
SMILES
CC1(CC(CN1)F)CO.Cl
InChI
InChI=1S/C6H12FNO.ClH/c1-6(4-9)2-5(7)3-8-6;/h5,8-9H,2-4H2,1H3;1H/t5-,6?;/m1./s1
InChIKey
BCPYKBPIYPNTAF-VQALBSKCSA-N
Synonyms
[(4R)-4-fluoro-2-methyl-pyrrolidin-2-yl]methanol;hydrochloride [(4R)-4-FLUORO-2-METHYL-PYRROLIDIN-2-YL]METHANOL HYDROCHLORIDE MFCD35149698 G15564 [(4R)-4-Fluoro-2-methyl-pyrrolidin-2-yl]methanol HCl

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.25
TPSA
32.26

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
0.49
Consensus LogP
0.47
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
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)
-3.41

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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