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CAS 127971-24-8 1-broMo-4-cyclopropylnaphthalene molecular structure lightbox
CAS RN: 127971-24-8

1-broMo-4-cyclopropylnaphthalene

  • Product code: SSC-035320
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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: ≥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 127971-24-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

127971-24-8 / 1-bromo-4-cyclopropylnaphthalene

Standard CAS: 127971-24-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127971-24-8
Multi CAS
No
Molecular Formula
C13H11Br
Molecular Weight
247.130000
Exact Mass
246.004410
SMILES
C1CC1C2=CC=C(C3=CC=CC=C23)Br
InChI
InChI=1S/C13H11Br/c14-13-8-7-10(9-5-6-9)11-3-1-2-4-12(11)13/h1-4,7-9H,5-6H2
InChIKey
GXWZSHOVWDCGQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
1
Molar refractivity
63.62
TPSA
0.0000

LogP / Solubility

WLOGP
4.48
MLOGP
3.95
XLogP3
4.8
Consensus LogP
4.41
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.05

Drug-likeness / Medicinal Chemistry

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

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