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CAS 1203579-63-8 3-Bromo-4-chloro-7-methoxyquinoline molecular structure lightbox
CAS RN: 1203579-63-8

3-Bromo-4-chloro-7-methoxyquinoline

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1203579-63-8
  • Purity/Analytical Methods: >99.0%
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1203579-63-8 / 3-bromo-4-chloro-7-methoxyquinoline

3-Bromo-4-chloro-7-methoxyquinoline | MFCD13192952 | SCHEMBL23896032

Standard CAS: 1203579-63-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1203579-63-8
Multi CAS
No
Molecular Formula
C10H7BrClNO
Molecular Weight
272.520000
Exact Mass
270.939950
SMILES
COC1=CC2=NC=C(C(=C2C=C1)Cl)Br
InChI
InChI=1S/C10H7BrClNO/c1-14-6-2-3-7-9(4-6)13-5-8(11)10(7)12/h2-5H,1H3
InChIKey
APGRHUWXEQKTMN-UHFFFAOYSA-N
Synonyms
3-Bromo-4-chloro-7-methoxyquinoline MFCD13192952 SCHEMBL23896032 DTXSID50671163 SB72068

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.01
TPSA
22.12

LogP / Solubility

WLOGP
3.66
MLOGP
3.23
XLogP3
3.5
Consensus LogP
3.46
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
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)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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