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CAS 630-07-9 Pentatriacontane molecular structure lightbox
CAS RN: 630-07-9

Pentatriacontane

  • Product code: SSC-172468
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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 630-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

630-07-9 / pentatriacontane

Standard CAS: 630-07-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
630-07-9
Multi CAS
No
Molecular Formula
C35H72
Molecular Weight
492.900000
Exact Mass
492.563402
InChI
InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKey
VHQQPFLOGSTQPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
1
Rotatable bonds
32
Molar refractivity
163.71
TPSA
0.0000

LogP / Solubility

WLOGP
13.9
MLOGP
12.27
XLogP3
18.6
Consensus LogP
14.92
Log S (ESOL)
-9.54
Class (ESOL)
Insoluble
Log S (Ali)
-13.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.24
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)
4.14

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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