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CAS 1264034-44-7 (R)-1-(6-Bromo-pyridin-2-yl)-pyrrolidin-3-ol molecular structure lightbox
CAS RN: 1264034-44-7

(R)-1-(6-Bromo-pyridin-2-yl)-pyrrolidin-3-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260325 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1264034-44-7
  • Purity/Analytical Methods: >99.0%
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1264034-44-7 / (3R)-1-(6-bromo-2-pyridinyl)pyrrolidin-3-ol

Standard CAS: 1264034-44-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1264034-44-7
Multi CAS
No
Molecular Formula
C9H11BrN2O
Molecular Weight
243.100000
Exact Mass
242.005480
SMILES
C1CN(C[C@@H]1O)C2=NC(=CC=C2)Br
InChI
InChI=1S/C9H11BrN2O/c10-8-2-1-3-9(11-8)12-5-4-7(13)6-12/h1-3,7,13H,4-6H2/t7-/m1/s1
InChIKey
WWHTZWXAZJJPRA-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.77
TPSA
36.36

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.8
Consensus LogP
1.49
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-3.2

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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