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CAS 89547-15-9 2-Hexadecyloctadecanoic Acid molecular structure lightbox
CAS RN: 89547-15-9

2-Hexadecyloctadecanoic Acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250418 100mg In stock Shanghai Inquiry
Batchno.20250411 1g In stock Shanghai Inquiry
Batchno.20260126 250mg In stock Shanghai Inquiry
Batchno.20251123 5g In stock Shanghai Inquiry
  • Product code: SSC-201549
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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: ≥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 89547-15-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

89547-15-9 / 2-hexadecyloctadecanoic acid

Standard CAS: 89547-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89547-15-9
Multi CAS
No
Molecular Formula
C34H68O2
Molecular Weight
508.900000
Exact Mass
508.521931
InChI
InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34(35)36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H,35,36)
InChIKey
LPZKXVVBAZTEMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.97
Rotatable bonds
31
H-bond acceptors
1
H-bond donors
1
Molar refractivity
160.98
TPSA
37.3

LogP / Solubility

WLOGP
12.43
MLOGP
10.98
XLogP3
16.2
Consensus LogP
13.2
Log S (ESOL)
-8.78
Class (ESOL)
Insoluble
Log S (Ali)
-12.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17
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)
3

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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