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CAS 1720-11-2 2-Methyldotriacontane molecular structure lightbox
CAS RN: 1720-11-2

2-Methyldotriacontane

  • Product code: SSC-075666
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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 1720-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1720-11-2 / 2-methyldotriacontane

Standard CAS: 1720-11-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1720-11-2
Multi CAS
No
Molecular Formula
C33H68
Molecular Weight
464.900000
Exact Mass
464.532102
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C33H68/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(2)3/h33H,4-32H2,1-3H3
InChIKey
ZMRQKNNNZMSHKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
29
Molar refractivity
154.4
TPSA
0.0000

LogP / Solubility

WLOGP
12.98
MLOGP
11.45
XLogP3
17.8
Consensus LogP
14.08
Log S (ESOL)
-8.98
Class (ESOL)
Insoluble
Log S (Ali)
-12.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.93
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)
3.66

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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