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CAS 1204811-28-8 3,4-Dichloro-8-fluoroquinoline molecular structure lightbox
CAS RN: 1204811-28-8

3,4-Dichloro-8-fluoroquinoline

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250523 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1204811-28-8
  • Purity/Analytical Methods: >99.0%
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1204811-28-8 / 3,4-dichloro-8-fluoroquinoline

3,4-Dichloro-8-fluoroquinoline | DTXSID00671173 | RefChem:270840

Standard CAS: 1204811-28-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1204811-28-8
Multi CAS
No
Molecular Formula
C9H4Cl2FN
Molecular Weight
216.040000
Exact Mass
214.970483
SMILES
C1=CC2=C(C(=CN=C2C(=C1)F)Cl)Cl
InChI
InChI=1S/C9H4Cl2FN/c10-6-4-13-9-5(8(6)11)2-1-3-7(9)12/h1-4H
InChIKey
VBOOTOZCRFUTOK-UHFFFAOYSA-N
Synonyms
3,4-Dichloro-8-fluoroquinoline DTXSID00671173 RefChem:270840 DTXCID10621922 810-547-4

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
51.72
TPSA
12.89

LogP / Solubility

WLOGP
3.68
MLOGP
3.24
XLogP3
3.5
Consensus LogP
3.47
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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)
-1.42

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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