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CAS 1228557-30-9 (2R)-2-(4-BROMOPHENYL)PIPERIDINE molecular structure lightbox
CAS RN: 1228557-30-9

(2R)-2-(4-BROMOPHENYL)PIPERIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250706 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1228557-30-9
  • Purity/Analytical Methods: >99.0%
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1228557-30-9 / (2R)-2-(4-bromophenyl)piperidine

Standard CAS: 1228557-30-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228557-30-9
Multi CAS
No
Molecular Formula
C11H14BrN
Molecular Weight
240.140000
Exact Mass
239.030960
SMILES
C1CCN[C@H](C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H14BrN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-7,11,13H,1-3,8H2/t11-/m1/s1
InChIKey
GHEZGFYJGORZRD-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.74
TPSA
12.03

LogP / Solubility

WLOGP
3.26
MLOGP
2.88
XLogP3
2.9
Consensus LogP
3.01
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-1.87

Drug-likeness / Medicinal Chemistry

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

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