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CAS 544-77-4 1-Iodohexadecane molecular structure lightbox
CAS RN: 544-77-4

1-Iodohexadecane

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260513 100g In stock Shanghai Inquiry
Batchno.20250302 25g In stock Shanghai, Shandong Inquiry
Batchno.20260226 500g Out of stock 1 business days Inquiry
Batchno.20260628 5g In stock Shanghai, Chongqing Inquiry
  • Product code: SSC-162070
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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, 25g, 100g
  • 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 544-77-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

544-77-4 / 1-iodohexadecane

Standard CAS: 544-77-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
544-77-4
Multi CAS
No
Molecular Formula
C16H33I
Molecular Weight
352.340000
Exact Mass
352.162700
InChI
InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChIKey
KMWHQYDMBYABKL-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless or pale yellow liquid or melt; mp = 21-23 deg C
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
14
Molar refractivity
89.2
TPSA
0.0000

LogP / Solubility

WLOGP
6.9
MLOGP
6.09
XLogP3
9.6
Consensus LogP
7.53
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
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
Yes
Log Kp (skin permeation)
0.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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