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CAS 15594-90-8 1-Heneicosanol molecular structure lightbox
CAS RN: 15594-90-8

1-Heneicosanol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251227 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-065163
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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 15594-90-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

15594-90-8 / henicosan-1-ol

Standard CAS: 15594-90-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15594-90-8
Multi CAS
No
Molecular Formula
C21H44O
Molecular Weight
312.600000
Exact Mass
312.339216
SMILES
CCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C21H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h22H,2-21H2,1H3
InChIKey
FIPPFBHCBUDBRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
19
H-bond acceptors
1
H-bond donors
1
Molar refractivity
100.48
TPSA
20.23

LogP / Solubility

WLOGP
7.41
MLOGP
6.53
XLogP3
10
Consensus LogP
7.98
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.12
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
No
Log Kp (skin permeation)
0.63

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
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 3 of 3 companies. For more detailed information, please visit ECHA C&L website.

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