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CAS 3814-30-0 (Bromomethyl)cyclopentane molecular structure lightbox
CAS RN: 3814-30-0

(Bromomethyl)cyclopentane

  • Product code: SSC-145650
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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: 25g
  • 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 3814-30-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

3814-30-0 / bromomethylcyclopentane

Standard CAS: 3814-30-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3814-30-0
Multi CAS
Yes
Molecular Formula
C6H11BR
Molecular Weight
163.060000
Exact Mass
162.004410
InChI
InChI=1S/C6H11Br/c7-5-6-3-1-2-4-6/h6H,1-5H2
InChIKey
XYZUWOHEILWUID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
35.75
TPSA
0.0000

LogP / Solubility

WLOGP
2.57
MLOGP
2.26
XLogP3
2.8
Consensus LogP
2.54
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-1.89

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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