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CAS 116020-44-1 trans,trans-4-Propyl-4′-vinylbicyclohexyl molecular structure lightbox
CAS RN: 116020-44-1

trans,trans-4-Propyl-4′-vinylbicyclohexyl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 5g / 25g / 500g Out of stock 8-10 business days Inquiry
  • Product code: SSC-016049
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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: ≥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 116020-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

116020-44-1 / 1-ethenyl-4-(4-propylcyclohexyl)cyclohexane

DTXSID20921900 | RefChem:408530 | DTXCID401436337

Standard CAS: 116020-44-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116020-44-1
Multi CAS
Yes
Molecular Formula
C17H30
Molecular Weight
234.400000
Exact Mass
234.234751
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C=C
InChI
InChI=1S/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h4,14-17H,2-3,5-13H2,1H3
InChIKey
KHDBEDDPFRHGCN-UHFFFAOYSA-N
Synonyms
DTXSID20921900 RefChem:408530 DTXCID401436337 (trans,trans)-4-ethenyl-4'-propyl-1,1'-Bicyclohexyl 4-Propyl-4'-vinyl-1,1'-bi(cyclohexane)

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.88
Rotatable bonds
4
Molar refractivity
76
TPSA
0.0000

LogP / Solubility

WLOGP
5.59
MLOGP
4.92
XLogP3
7.4
Consensus LogP
5.97
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.3
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.18

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 Health Hazard
Signal
Danger
GHS Hazard Statements
H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation] H360 (10%): May damage fertility or the unborn child [Danger Reproductive toxicity] H360D (80%): May damage the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P264, P280, P302+P352, P318, P321, P332+P317, P362+P364, P405, and P501

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