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CAS 75238-77-6 1-BROMO-1,2,3,4-TETRAHYDRONAPHTHALENE molecular structure lightbox
CAS RN: 75238-77-6

1-BROMO-1,2,3,4-TETRAHYDRONAPHTHALENE

  • Product code: SSC-184719
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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 75238-77-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

75238-77-6 / 1-bromo-1,2,3,4-tetrahydronaphthalene

Standard CAS: 75238-77-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75238-77-6
Multi CAS
No
Molecular Formula
C10H11BR
Molecular Weight
211.100000
Exact Mass
210.004410
InChI
InChI=1S/C10H11Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2
InChIKey
DJFWBXZNNOYGAU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Molar refractivity
51.05
TPSA
0.0000

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
3.3
Consensus LogP
3.27
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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