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CAS 630-03-5 Nonacosane molecular structure lightbox
CAS RN: 630-03-5

Nonacosane

  • Product code: SSC-172465
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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 630-03-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

630-03-5 / nonacosane

Standard CAS: 630-03-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
630-03-5
Multi CAS
No
Molecular Formula
C29H60
Molecular Weight
408.800000
Exact Mass
408.469502
InChI
InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3
InChIKey
IGGUPRCHHJZPBS-UHFFFAOYSA-N

Physical Properties

Melting Point
63.7 °C 64 °C
Boiling Point
443 °C 440.00 to 441.00 °C. @ 760.00 mm Hg
Density
0.8083 g/cu cm at 20 °C
Physical Description
Solid
Appearance
Orthorhombic crystals from petroleum ether
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
1
Rotatable bonds
26
Molar refractivity
136.01
TPSA
0.0000

LogP / Solubility

WLOGP
11.56
MLOGP
10.2
XLogP3
15.3
Consensus LogP
12.35
Log S (ESOL)
-7.94
Class (ESOL)
Insoluble
Log S (Ali)
-11.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.03
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
Yes
Log Kp (skin permeation)
2.99

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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