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CAS 51572-54-4 1-broMocyclopentanecarboxylic acid Methyl ester molecular structure lightbox
CAS RN: 51572-54-4

1-broMocyclopentanecarboxylic acid Methyl ester

  • Product code: SSC-158477
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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 51572-54-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

51572-54-4 / methyl 1-bromocyclopentane-1-carboxylate

Standard CAS: 51572-54-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51572-54-4
Multi CAS
No
Molecular Formula
C7H11BRO2
Molecular Weight
207.060000
Exact Mass
205.994240
InChI
InChI=1S/C7H11BrO2/c1-10-6(9)7(8)4-2-3-5-7/h2-5H2,1H3
InChIKey
YGWINKVROAENAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.14
TPSA
26.3

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
2
Consensus LogP
1.84
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.66

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
1.5

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