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CAS 3007-75-8 N,N-DI-N-OCTYLANILINE molecular structure lightbox
CAS RN: 3007-75-8

N,N-DI-N-OCTYLANILINE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260305 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-133689
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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: ＞97%
  • 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 3007-75-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

3007-75-8 / N,N-dioctylaniline

Standard CAS: 3007-75-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3007-75-8
Multi CAS
No
Molecular Formula
C22H39N
Molecular Weight
317.600000
Exact Mass
317.308250
InChI
InChI=1S/C22H39N/c1-3-5-7-9-11-16-20-23(22-18-14-13-15-19-22)21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3
InChIKey
PTRSTXBRQVXIEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
15
H-bond acceptors
1
Molar refractivity
105.41
TPSA
3.24

LogP / Solubility

WLOGP
7.21
MLOGP
6.36
XLogP3
8.9
Consensus LogP
7.49
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
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
No
Log Kp (skin permeation)
0.46

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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