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CAS 7731-02-4 1-CYCLOHEXYL-PYRROLIDINE molecular structure lightbox
CAS RN: 7731-02-4

1-CYCLOHEXYL-PYRROLIDINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251122 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-186805
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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 7731-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

7731-02-4 / decanenitrile

Standard CAS: 7731-02-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7731-02-4
Multi CAS
Yes
Molecular Formula
C10H19N
Molecular Weight
153.260000
Exact Mass
153.151750
InChI
InChI=1S/C10H19N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h10H,1-9H2
InChIKey
ULBBXWVIXXPSOD-UHFFFAOYSA-N

Physical Properties

Boiling Point
Boiling point equals 241°C
Physical Description
Clear liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
48.22
TPSA
23.79

LogP / Solubility

WLOGP
3.65
MLOGP
3.21
XLogP3
3.7
Consensus LogP
3.52
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly 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)
-1.06

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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