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CAS 114834-79-6 1-(TRANS-4-N-BUTYLCYCLOHEXYL)-4-IODOBENZENE molecular structure lightbox
CAS RN: 114834-79-6

1-(TRANS-4-N-BUTYLCYCLOHEXYL)-4-IODOBENZENE

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250407 100g Out of stock Inquiry
Batchno.20250524 10g In stock Shanghai Inquiry
Batchno.20260619 1g In stock Shanghai Inquiry
Batchno.20251208 25g Out of stock Inquiry
Batchno.20251122 5g In stock Shanghai Inquiry
  • Product code: SSC-014562
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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 114834-79-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

114834-79-6 / 1-(4-butylcyclohexyl)-4-iodobenzene

1-(trans-4-Butylcyclohexyl)-4-iodobenzene | 1-(trans-4-n-Butylcyclohexyl)-4-iodobenzene | 1-(4-butylcyclohexyl)-4-iodobenzene

Standard CAS: 114834-79-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114834-79-6
Multi CAS
Yes
Molecular Formula
C16H23I
Molecular Weight
342.260000
Exact Mass
342.084450
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)I
InChI
InChI=1S/C16H23I/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h9-14H,2-8H2,1H3
InChIKey
WSVCQFMWNNGAEB-UHFFFAOYSA-N
Synonyms
1-(trans-4-Butylcyclohexyl)-4-iodobenzene 1-(trans-4-n-Butylcyclohexyl)-4-iodobenzene 1-(4-butylcyclohexyl)-4-iodobenzene MFCD06658189 Benzene, 1-(4-butylcyclohexyl)-4-iodo-, trans- (9CI)

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
4
Molar refractivity
83.38
TPSA
0.0000

LogP / Solubility

WLOGP
5.76
MLOGP
5.08
XLogP3
7
Consensus LogP
5.95
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.72

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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