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CAS 25355-03-7 1-Nonanol, 2-heptyl- molecular structure lightbox
CAS RN: 25355-03-7

1-Nonanol, 2-heptyl-

  • Product code: SSC-121249
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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 25355-03-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

25355-03-7 / 2-heptylnonan-1-ol

Standard CAS: 25355-03-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25355-03-7
Multi CAS
No
Molecular Formula
C16H34O
Molecular Weight
242.440000
Exact Mass
242.260966
SMILES
CCCCCCCC(CCCCCCC)CO
InChI
InChI=1S/C16H34O/c1-3-5-7-9-11-13-16(15-17)14-12-10-8-6-4-2/h16-17H,3-15H2,1-2H3
InChIKey
OKPDIVZFFUVTNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
77.33
TPSA
20.23

LogP / Solubility

WLOGP
5.32
MLOGP
4.68
XLogP3
7
Consensus LogP
5.67
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-0.42

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

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