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CAS 199982-02-0 4′-Butyl-4-iodobiphenyl molecular structure lightbox
CAS RN: 199982-02-0

4′-Butyl-4-iodobiphenyl

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250810 1g In stock Shanghai Inquiry
Batchno.20251030 25g In stock Shenzhen Inquiry
Batchno.20250131 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250703 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-094140
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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: ≥98%
  • 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 199982-02-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

199982-02-0 / 1-butyl-4-(4-iodophenyl)benzene

Standard CAS: 199982-02-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199982-02-0
Multi CAS
No
Molecular Formula
C16H17I
Molecular Weight
336.210000
Exact Mass
336.037500
SMILES
CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)I
InChI
InChI=1S/C16H17I/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(17)12-10-15/h5-12H,2-4H2,1H3
InChIKey
KTEKHPDWAMYUBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
4
Molar refractivity
83.21
TPSA
0.0000

LogP / Solubility

WLOGP
5.3
MLOGP
4.68
XLogP3
6.1
Consensus LogP
5.36
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.01

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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