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CAS 88074-73-1 1-Ethynyl-4-(trans-4-propylcyclohexyl)benzene molecular structure lightbox
CAS RN: 88074-73-1

1-Ethynyl-4-(trans-4-propylcyclohexyl)benzene

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251210 100mg In stock Inquiry
Batchno.20251202 25mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 200mg In stock Shanghai Inquiry
  • Product code: SSC-198518
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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 88074-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

88074-73-1 / 1-ethynyl-4-(4-propylcyclohexyl)benzene

Standard CAS: 88074-73-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88074-73-1
Multi CAS
No
Molecular Formula
C17H22
Molecular Weight
226.360000
Exact Mass
226.172151
InChI
InChI=1S/C17H22/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h2,6-7,10-11,15,17H,3,5,8-9,12-13H2,1H3
InChIKey
HLUVLSYQSNGSKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
Molar refractivity
73.98
TPSA
0.0000

LogP / Solubility

WLOGP
4.74
MLOGP
4.18
XLogP3
6
Consensus LogP
4.97
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble

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)
-0.73

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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