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CAS 141848-60-4 6-(BROMOMETHYL)-2-METHYLQUINOLINE molecular structure lightbox
CAS RN: 141848-60-4

6-(BROMOMETHYL)-2-METHYLQUINOLINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS141848-60-4
  • Purity/Analytical Methods: >99.0%
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141848-60-4 / 6-(bromomethyl)-2-methylquinoline

Standard CAS: 141848-60-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
141848-60-4
Multi CAS
No
Molecular Formula
C11H10BrN
Molecular Weight
236.110000
Exact Mass
234.999660
SMILES
CC1=NC2=C(C=C1)C=C(C=C2)CBr
InChI
InChI=1S/C11H10BrN/c1-8-2-4-10-6-9(7-12)3-5-11(10)13-8/h2-6H,7H2,1H3
InChIKey
OTZHQYZZYJSBOK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
59.11
TPSA
12.89

LogP / Solubility

WLOGP
3.44
MLOGP
3.03
XLogP3
3.1
Consensus LogP
3.19
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72

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
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501

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