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CAS 1943-84-6 HEXADECYL ISOCYANATE molecular structure lightbox
CAS RN: 1943-84-6

HEXADECYL ISOCYANATE

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260530 1g In stock Inquiry
Batchno.20250312 250mg Out of stock Inquiry
Batchno.20250916 25g Out of stock Inquiry
Batchno.20260101 5g Out of stock Inquiry
  • Product code: SSC-091720
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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: 1g
  • Available purity: ≥95%
  • 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 1943-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1943-84-6 / 1-isocyanatohexadecane

Standard CAS: 1943-84-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1943-84-6
Multi CAS
No
Molecular Formula
C17H33NO
Molecular Weight
267.400000
Exact Mass
267.256215
SMILES
CCCCCCCCCCCCCCCCN=C=O
InChI
InChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3
InChIKey
GFLXBRUGMACJLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
83.3
TPSA
29.43

LogP / Solubility

WLOGP
5.8
MLOGP
5.12
XLogP3
8.7
Consensus LogP
6.54
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.23

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (34.2%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (34.2%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (94.7%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501

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