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CAS 96965-79-6 3,6-Dibromo-2,7-dihydroxynaphthalene molecular structure lightbox
CAS RN: 96965-79-6

3,6-Dibromo-2,7-dihydroxynaphthalene

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260616 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260606 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260511 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250207 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-212149
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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: 5g
  • Available purity: ＞97%
  • 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 96965-79-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

96965-79-6 / 3,6-dibromonaphthalene-2,7-diol

Standard CAS: 96965-79-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96965-79-6
Multi CAS
No
Molecular Formula
C10H6BR2O2
Molecular Weight
317.960000
Exact Mass
317.871410
InChI
InChI=1S/C10H6Br2O2/c11-7-1-5-2-8(12)10(14)4-6(5)3-9(7)13/h1-4,13-14H
InChIKey
UAECXNARJOIHAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.68
TPSA
40.46

LogP / Solubility

WLOGP
3.78
MLOGP
3.34
XLogP3
3.8
Consensus LogP
3.64
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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)
-1.98

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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