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CAS 1070879-44-5 4-BROMO-6-ETHYL-2-METHYLQUINOLINE molecular structure lightbox
CAS RN: 1070879-44-5

4-BROMO-6-ETHYL-2-METHYLQUINOLINE

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250420 1g In stock Inquiry
Batchno.20251218 250mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250220 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1070879-44-5
  • Purity/Analytical Methods: >99.0%
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1070879-44-5 / 4-bromo-6-ethyl-2-methylquinoline

4-Bromo-6-ethyl-2-methylquinoline | DTXSID20653693 | RefChem:290979

Standard CAS: 1070879-44-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1070879-44-5
Multi CAS
No
Molecular Formula
C12H12BrN
Molecular Weight
250.130000
Exact Mass
249.015310
SMILES
CCC1=CC2=C(C=C(N=C2C=C1)C)Br
InChI
InChI=1S/C12H12BrN/c1-3-9-4-5-12-10(7-9)11(13)6-8(2)14-12/h4-7H,3H2,1-2H3
InChIKey
ALBMSDIUFYWOPN-UHFFFAOYSA-N
Synonyms
4-Bromo-6-ethyl-2-methylquinoline DTXSID20653693 RefChem:290979 DTXCID20604443 MFCD11505128

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
63.56
TPSA
12.89

LogP / Solubility

WLOGP
3.87
MLOGP
3.41
XLogP3
4.1
Consensus LogP
3.79
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
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] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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