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CAS 4747-71-1 Cyclopentyl Isocyanate molecular structure lightbox
CAS RN: 4747-71-1

Cyclopentyl Isocyanate

  • Product code: SSC-154404
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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, 5g, 10g, 25g
  • Available purity: ≥98%
  • 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 4747-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry
25g ≥98% 0 Out of Stock Hong Kong Inquiry

4747-71-1 / isocyanatocyclopentane

Standard CAS: 4747-71-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4747-71-1
Multi CAS
Yes
Molecular Formula
C6H9NO
Molecular Weight
111.140000
Exact Mass
111.068414
InChI
InChI=1S/C6H9NO/c8-5-7-6-3-1-2-4-6/h6H,1-4H2
InChIKey
CZALJDQHONFVFU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
30.38
TPSA
29.43

LogP / Solubility

WLOGP
1.26
MLOGP
1.1
XLogP3
2.2
Consensus LogP
1.52
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
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)
-2.5

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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