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CAS 37794-28-8 Methyl (1S,2R,3R,8S)-4-bromocubane-1-carboxylate molecular structure lightbox
CAS RN: 37794-28-8

Methyl (1S,2R,3R,8S)-4-bromocubane-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250121 25mg Out of stock Inquiry
  • Product code: SSC-145235
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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: 0.25g
  • 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 37794-28-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

37794-28-8 / methyl 4-bromocubane-1-carboxylate

Standard CAS: 37794-28-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37794-28-8
Multi CAS
Yes
Molecular Formula
C10H9BRO2
Molecular Weight
241.080000
Exact Mass
239.978590
InChI
InChI=1S/C10H9BrO2/c1-13-8(12)9-2-5-3(9)7-4(9)6(2)10(5,7)11/h2-7H,1H3
InChIKey
AYRUWJVGHGZOKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.05
TPSA
26.3

LogP / Solubility

WLOGP
1.04
MLOGP
0.92
XLogP3
1
Consensus LogP
0.99
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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