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CAS 51175-79-2 Methyl 1-bromocyclobutanecarboxylate molecular structure lightbox
CAS RN: 51175-79-2

Methyl 1-bromocyclobutanecarboxylate

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260313 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250902 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
Batchno.20260221 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260119 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250428 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-158008
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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 51175-79-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

51175-79-2 / methyl 1-bromocyclobutane-1-carboxylate

Standard CAS: 51175-79-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51175-79-2
Multi CAS
Yes
Molecular Formula
C6H9BRO2
Molecular Weight
193.040000
Exact Mass
191.978590
InChI
InChI=1S/C6H9BrO2/c1-9-5(8)6(7)3-2-4-6/h2-4H2,1H3
InChIKey
KOKFKKDTWBKYTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.53
TPSA
26.3

LogP / Solubility

WLOGP
1.48
MLOGP
1.3
XLogP3
1.6
Consensus LogP
1.46
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.85

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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