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CAS 891403-21-7 1-(4-broMobenzyl)-4-Methylpiperidine molecular structure lightbox
CAS RN: 891403-21-7

1-(4-broMobenzyl)-4-Methylpiperidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260524 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS891403-21-7
  • Purity/Analytical Methods: >99.0%
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891403-21-7 / 1-[(4-bromophenyl)methyl]-4-methylpiperidine

Standard CAS: 891403-21-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
891403-21-7
Multi CAS
No
Molecular Formula
BC13H18Rn
Molecular Weight
268.190000
Exact Mass
267.062260
InChI
InChI=1S/C13H18BrN/c1-11-6-8-15(9-7-11)10-12-2-4-13(14)5-3-12/h2-5,11H,6-10H2,1H3
InChIKey
NGJYGCPOKZUZMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
67.82
TPSA
3.24

LogP / Solubility

WLOGP
3.68
MLOGP
3.25
XLogP3
3.7
Consensus LogP
3.54
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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