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CAS 40140-09-8 ARACHIDOYL CHLORIDE molecular structure lightbox
CAS RN: 40140-09-8

ARACHIDOYL CHLORIDE

  • Product code: SSC-148128
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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 40140-09-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

40140-09-8 / icosanoyl chloride

Standard CAS: 40140-09-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40140-09-8
Multi CAS
No
Molecular Formula
C20H39CLO
Molecular Weight
331.000000
Exact Mass
330.268944
InChI
InChI=1S/C20H39ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3
InChIKey
BXZBGYJQEFZICM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
18
H-bond acceptors
1
Molar refractivity
99.64
TPSA
17.07

LogP / Solubility

WLOGP
7.79
MLOGP
6.87
XLogP3
9.5
Consensus LogP
8.05
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.44
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
No
Log Kp (skin permeation)
0.79

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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