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CAS 1343606-51-8 1-(6-Chloro-pyridin-3-ylmethyl)-pyrrolidin-3-ol molecular structure lightbox
CAS RN: 1343606-51-8

1-(6-Chloro-pyridin-3-ylmethyl)-pyrrolidin-3-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251021 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1343606-51-8
  • Purity/Analytical Methods: >99.0%
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1343606-51-8 / 1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol

Standard CAS: 1343606-51-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1343606-51-8
Multi CAS
No
Molecular Formula
C10H13ClN2O
Molecular Weight
212.670000
Exact Mass
212.071641
SMILES
C1CN(CC1O)CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C10H13ClN2O/c11-10-2-1-8(5-12-10)6-13-4-3-9(14)7-13/h1-2,5,9,14H,3-4,6-7H2
InChIKey
MXTQEVGFBGHPNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.15
TPSA
36.36

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
1.2
Consensus LogP
1.22
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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