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CAS 62655-20-3 1,3-DIBROMO-5-ISOPROPYLBENZENE molecular structure lightbox
CAS RN: 62655-20-3

1,3-DIBROMO-5-ISOPROPYLBENZENE

  • Product code: SSC-171927
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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: 10g
  • 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 62655-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

62655-20-3 / 1,3-dibromo-5-propan-2-ylbenzene

Standard CAS: 62655-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62655-20-3
Multi CAS
No
Molecular Formula
C9H10BR2
Molecular Weight
277.980000
Exact Mass
277.912880
InChI
InChI=1S/C9H10Br2/c1-6(2)7-3-8(10)5-9(11)4-7/h3-6H,1-2H3
InChIKey
NZSDHAXDRSHURO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
Molar refractivity
55.93
TPSA
0.0000

LogP / Solubility

WLOGP
4.34
MLOGP
3.82
XLogP3
4.4
Consensus LogP
4.19
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34

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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