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CAS 534-00-9 (S)-1-Bromo-2-methylbutane molecular structure lightbox
CAS RN: 534-00-9

(S)-1-Bromo-2-methylbutane

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250813 25g In stock Inquiry
Batchno.20250109 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250909 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-160728
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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 534-00-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

534-00-9 / 1-bromo-2-methylbutane

Standard CAS: 534-00-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
534-00-9
Multi CAS
Yes
Molecular Formula
C5H11BR
Molecular Weight
151.040000
Exact Mass
150.004410
InChI
InChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
InChIKey
XKVLZBNEPALHIO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
33.25
TPSA
0.0000

LogP / Solubility

WLOGP
2.43
MLOGP
2.13
XLogP3
2.7
Consensus LogP
2.42
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately 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)
-1.92

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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