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CAS 111158-11-3 1-IODO-4-(TRANS-4-N-PROPYLCYCLOHEXYL)BENZENE molecular structure lightbox
CAS RN: 111158-11-3

1-IODO-4-(TRANS-4-N-PROPYLCYCLOHEXYL)BENZENE

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251001 100g In stock Shanghai Inquiry
Batchno.20250311 10g In stock Shanghai Inquiry
Batchno.20250227 25g In stock Shanghai Inquiry
Batchno.20260506 500g In stock Shanghai Inquiry
Batchno.20250109 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251213 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-012015
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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: ＞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 111158-11-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

111158-11-3 / 1-iodo-4-(4-propylcyclohexyl)benzene

1-(Trans-4-propylcyclohexyl)-4-iodobenzene | 1-Iodo-4-(trans-4-n-propylcyclohexyl)benzene | 1-IODO-4-(4-PROPYL-CYCLOHEXYL)-BENZENE

Standard CAS: 111158-11-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
111158-11-3
Multi CAS
No
Molecular Formula
C15H21I
Molecular Weight
328.230000
Exact Mass
328.068800
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)I
InChI
InChI=1S/C15H21I/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8-13H,2-7H2,1H3
InChIKey
QBYHVVBZXPJPKK-UHFFFAOYSA-N
Synonyms
1-(Trans-4-propylcyclohexyl)-4-iodobenzene 1-Iodo-4-(trans-4-n-propylcyclohexyl)benzene 1-IODO-4-(4-PROPYL-CYCLOHEXYL)-BENZENE 1-iodo-4-(4-propylcyclohexyl)benzene MFCD06658188

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
Molar refractivity
78.77
TPSA
0.0000

LogP / Solubility

WLOGP
5.37
MLOGP
4.74
XLogP3
6.4
Consensus LogP
5.5
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-0.91

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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