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CAS 25346-31-0 3-BROMO-3-METHYLPENTANE molecular structure lightbox
CAS RN: 25346-31-0

3-BROMO-3-METHYLPENTANE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251204 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-121240
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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 25346-31-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

25346-31-0 / 3-bromo-3-methylpentane

Standard CAS: 25346-31-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25346-31-0
Multi CAS
No
Molecular Formula
C6H13Br
Molecular Weight
165.070000
Exact Mass
164.020060
SMILES
CCC(C)(CC)Br
InChI
InChI=1S/C6H13Br/c1-4-6(3,7)5-2/h4-5H2,1-3H3
InChIKey
ZRPQYKLJSOLRPZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
37.91
TPSA
0.0000

LogP / Solubility

WLOGP
2.96
MLOGP
2.6
XLogP3
3
Consensus LogP
2.85
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-1.63

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
1.5

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