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CAS 61204-00-0 4-(trans-4-Butylcyclohexyl)benzonitrile molecular structure lightbox
CAS RN: 61204-00-0

4-(trans-4-Butylcyclohexyl)benzonitrile

Product Availability

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260123 100g Out of stock Inquiry
Batchno.20250205 25g Out of stock Inquiry
Batchno.20250405 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260322 1g In stock Shanghai Inquiry
Batchno.20260211 5g In stock Shanghai, Hebei Inquiry
  • Product code: SSC-169998
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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: 5g
  • Available purity: 0
  • 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 61204-00-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 0 0 Out of Stock Shanghai Inquiry

61204-00-0 / 4-(4-butylcyclohexyl)benzonitrile

Standard CAS: 61204-00-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61204-00-0
Multi CAS
Yes
Molecular Formula
C17H23N
Molecular Weight
241.370000
Exact Mass
241.183050
InChI
InChI=1S/C17H23N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-8,11-12,14,16H,2-6,9-10H2,1H3
InChIKey
YYAVXASAKUOZJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
75.38
TPSA
23.79

LogP / Solubility

WLOGP
5.02
MLOGP
4.42
XLogP3
6.1
Consensus LogP
5.18
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
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)
-0.63

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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