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CAS 7194-86-7 NONATRIACONTANE molecular structure lightbox
CAS RN: 7194-86-7

NONATRIACONTANE

  • Product code: SSC-181477
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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 7194-86-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

7194-86-7 / nonatriacontane

Standard CAS: 7194-86-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7194-86-7
Multi CAS
Yes
Molecular Formula
C39H80
Molecular Weight
549.100000
Exact Mass
548.626003
InChI
InChI=1S/C39H80/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey
SNXOSZZZNFRFNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
1
Rotatable bonds
36
Molar refractivity
182.18
TPSA
0.0000

LogP / Solubility

WLOGP
15.46
MLOGP
13.65
XLogP3
20.7
Consensus LogP
16.6
Log S (ESOL)
-10.61
Class (ESOL)
Insoluble
Log S (Ali)
-15.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.38
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)
4.91

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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