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CAS 22513-81-1 1,22-Docosanediol molecular structure lightbox
CAS RN: 22513-81-1

1,22-Docosanediol

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250602 1g In stock Inquiry
Batchno.20260413 250mg In stock Inquiry
Batchno.20250418 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250413 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250628 25g In stock Shanghai Inquiry
Batchno.20260318 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-110090
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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: 5g
  • 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 22513-81-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 0 Out of Stock Beijing Inquiry

22513-81-1 / docosane-1,22-diol

Standard CAS: 22513-81-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22513-81-1
Multi CAS
No
Molecular Formula
C22H46O2
Molecular Weight
342.600000
Exact Mass
342.349781
SMILES
C(CCCCCCCCCCCO)CCCCCCCCCCO
InChI
InChI=1S/C22H46O2/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24/h23-24H,1-22H2
InChIKey
HIBKFQRBONXURO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
21
H-bond acceptors
2
H-bond donors
2
Molar refractivity
106.51
TPSA
40.46

LogP / Solubility

WLOGP
6.77
MLOGP
5.98
XLogP3
9
Consensus LogP
7.25
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.03
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

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

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