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CAS 1251032-65-1 1-broMo-4-tert-butyl-2-chlorobenzene molecular structure lightbox
CAS RN: 1251032-65-1

1-broMo-4-tert-butyl-2-chlorobenzene

  • Product code: SSC-029760
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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 1251032-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1251032-65-1 / 1-bromo-4-tert-butyl-2-chlorobenzene

Standard CAS: 1251032-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1251032-65-1
Multi CAS
No
Molecular Formula
C10H12BrCl
Molecular Weight
247.560000
Exact Mass
245.981090
SMILES
CC(C)(C)C1=CC(=C(C=C1)Br)Cl
InChI
InChI=1S/C10H12BrCl/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6H,1-3H3
InChIKey
MAEUOFBYQLTZRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
Molar refractivity
57.85
TPSA
0.0000

LogP / Solubility

WLOGP
4.4
MLOGP
3.88
XLogP3
4.9
Consensus LogP
4.39
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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)
-1.11

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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