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CAS 141345-08-6 4-CYCLOHEXYL-BUTYNE molecular structure lightbox
CAS RN: 141345-08-6

4-CYCLOHEXYL-BUTYNE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251130 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-051695
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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: 0.1g
  • 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 141345-08-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry

141345-08-6 / but-3-ynylcyclohexane

Standard CAS: 141345-08-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
141345-08-6
Multi CAS
No
Molecular Formula
C10H16
Molecular Weight
136.230000
Exact Mass
136.125201
SMILES
C#CCCC1CCCCC1
InChI
InChI=1S/C10H16/c1-2-3-7-10-8-5-4-6-9-10/h1,10H,3-9H2
InChIKey
BDGRISORDYVXCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
2
Molar refractivity
44.64
TPSA
0.0000

LogP / Solubility

WLOGP
2.98
MLOGP
2.61
XLogP3
4.1
Consensus LogP
3.23
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly 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)
-1.44

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral] H411 (95%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

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