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CAS 1070879-55-8 4,8-DIBROMO-2-METHYLQUINOLINE molecular structure lightbox
CAS RN: 1070879-55-8

4,8-DIBROMO-2-METHYLQUINOLINE

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3 package records3 with current stock1 grade group
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Batchno.20260417 100mg In stock Inquiry
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  • Product code: starshine_CAS1070879-55-8
  • Purity/Analytical Methods: >99.0%
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1070879-55-8 / 4,8-dibromo-2-methylquinoline

4,8-Dibromo-2-methylquinoline | DTXSID70653704 | RefChem:286162

Standard CAS: 1070879-55-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1070879-55-8
Multi CAS
No
Molecular Formula
C10H7Br2N
Molecular Weight
300.980000
Exact Mass
300.892470
SMILES
CC1=CC(=C2C=CC=C(C2=N1)Br)Br
InChI
InChI=1S/C10H7Br2N/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3
InChIKey
ZTIXHNVOIKNFKE-UHFFFAOYSA-N
Synonyms
4,8-Dibromo-2-methylquinoline DTXSID70653704 RefChem:286162 DTXCID30604454 MFCD11505139

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
61.88
TPSA
12.89

LogP / Solubility

WLOGP
4.07
MLOGP
3.59
XLogP3
4
Consensus LogP
3.89
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

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 Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger 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+P316, P305+P354+P338, P317, P321, P330, P405, and P501

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