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CAS 45235-48-1 1-Decanol, 2-octyl- molecular structure lightbox
CAS RN: 45235-48-1

1-Decanol, 2-octyl-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-153040
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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 45235-48-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

45235-48-1 / 2-octyldecan-1-ol

Standard CAS: 45235-48-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
45235-48-1
Multi CAS
No
Molecular Formula
C18H38O
Molecular Weight
270.500000
Exact Mass
270.292266
InChI
InChI=1S/C18H38O/c1-3-5-7-9-11-13-15-18(17-19)16-14-12-10-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKey
JYZLSYFPFQTNNO-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
1
H-bond donors
1
Molar refractivity
86.56
TPSA
20.23

LogP / Solubility

WLOGP
6.1
MLOGP
5.37
XLogP3
8.1
Consensus LogP
6.52
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.28
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.04

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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