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CAS 72072-19-6 N,N-DIOCTADECYLANILINE molecular structure lightbox
CAS RN: 72072-19-6

N,N-DIOCTADECYLANILINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251223 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-181612
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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 72072-19-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

72072-19-6 / N,N-dioctadecylaniline

Standard CAS: 72072-19-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72072-19-6
Multi CAS
No
Molecular Formula
C42H79N
Molecular Weight
598.100000
Exact Mass
597.621252
InChI
InChI=1S/C42H79N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-43(42-38-34-33-35-39-42)41-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,38-39H,3-32,36-37,40-41H2,1-2H3
InChIKey
JDEDKRLRGDEWKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
6
Fraction Csp3
0.86
Rotatable bonds
35
H-bond acceptors
1
Molar refractivity
197.75
TPSA
3.24

LogP / Solubility

WLOGP
15.02
MLOGP
13.26
XLogP3
19.7
Consensus LogP
15.99
Log S (ESOL)
-10.8
Class (ESOL)
Insoluble
Log S (Ali)
-15.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.21
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
4.29

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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