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CAS 65355-35-3 [trans(trans)]-4′-propyl[1,1′-bicyclohexyl]-4-carbonitrile molecular structure lightbox
CAS RN: 65355-35-3

[trans(trans)]-4′-propyl[1,1′-bicyclohexyl]-4-carbonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250608 5g In stock Shanghai Inquiry
  • Product code: SSC-175003
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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: 10g
  • 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 65355-35-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

65355-35-3 / 4-(4-propylcyclohexyl)cyclohexane-1-carbonitrile

Standard CAS: 65355-35-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65355-35-3
Multi CAS
Yes
Molecular Formula
C16H27N
Molecular Weight
233.390000
Exact Mass
233.214350
InChI
InChI=1S/C16H27N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h13-16H,2-11H2,1H3
InChIKey
GPKWICXATIXXQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.94
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
71.42
TPSA
23.79

LogP / Solubility

WLOGP
4.92
MLOGP
4.34
XLogP3
5.9
Consensus LogP
5.05
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
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)
-0.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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