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CAS 1189106-50-0 7-Bromo-4-chloro-8-methylquinoline molecular structure lightbox
CAS RN: 1189106-50-0

7-Bromo-4-chloro-8-methylquinoline

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS1189106-50-0
  • Purity/Analytical Methods: >99.0%
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1189106-50-0 / 7-bromo-4-chloro-8-methylquinoline

7-Bromo-4-chloro-8-methylquinoline | DTXSID40670928 | RefChem:310433

Standard CAS: 1189106-50-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1189106-50-0
Multi CAS
No
Molecular Formula
C10H7BrClN
Molecular Weight
256.520000
Exact Mass
254.945040
SMILES
CC1=C(C=CC2=C(C=CN=C12)Cl)Br
InChI
InChI=1S/C10H7BrClN/c1-6-8(11)3-2-7-9(12)4-5-13-10(6)7/h2-5H,1H3
InChIKey
UPJFHRDSKRYSLG-UHFFFAOYSA-N
Synonyms
7-Bromo-4-chloro-8-methylquinoline DTXSID40670928 RefChem:310433 DTXCID40621677 802-593-9

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
59.19
TPSA
12.89

LogP / Solubility

WLOGP
3.96
MLOGP
3.49
XLogP3
3.9
Consensus LogP
3.78
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
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)
-1.47

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 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501

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