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CAS 918648-51-8 3-benzyl-7-bromo-2-methoxyquinoline molecular structure lightbox
CAS RN: 918648-51-8

3-benzyl-7-bromo-2-methoxyquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251031 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-205342
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 918648-51-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

918648-51-8 / 3-benzyl-7-bromo-2-methoxyquinoline

Standard CAS: 918648-51-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
918648-51-8
Multi CAS
No
Molecular Formula
BC17H14ORn
Molecular Weight
328.200000
Exact Mass
327.025880
InChI
InChI=1S/C17H14BrNO/c1-20-17-14(9-12-5-3-2-4-6-12)10-13-7-8-15(18)11-16(13)19-17/h2-8,10-11H,9H2,1H3
InChIKey
YWOHBUGQXMWRNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
85.24
TPSA
22.12

LogP / Solubility

WLOGP
4.6
MLOGP
4.06
XLogP3
5.1
Consensus LogP
4.59
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
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)
-1.46

Drug-likeness / Medicinal Chemistry

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

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