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CAS 3684-46-6 broxaldine molecular structure lightbox
CAS RN: 3684-46-6

broxaldine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251012 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-144089
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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: 0.25g
  • 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 3684-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

3684-46-6 / (5,7-dibromo-2-methylquinolin-8-yl) benzoate

Standard CAS: 3684-46-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3684-46-6
Multi CAS
Yes
Molecular Formula
C17H11BR2NO2
Molecular Weight
421.100000
Exact Mass
420.913600
InChI
InChI=1S/C17H11Br2NO2/c1-10-7-8-12-13(18)9-14(19)16(15(12)20-10)22-17(21)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
IJTPLVAAROHGGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
93.28
TPSA
39.19

LogP / Solubility

WLOGP
5.29
MLOGP
4.68
XLogP3
5.4
Consensus LogP
5.12
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-6.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.03
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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