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CAS 15233-47-3 4-(2-Octylamino)diphenylamine molecular structure lightbox
CAS RN: 15233-47-3

4-(2-Octylamino)diphenylamine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250920 100g Out of stock Inquiry
  • Product code: SSC-062080
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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: 25g
  • Available purity: ≥98%
  • 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 15233-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

15233-47-3 / 4-N-octan-2-yl-1-N-phenylbenzene-1,4-diamine

Standard CAS: 15233-47-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
15233-47-3
Multi CAS
No
Molecular Formula
C20H28N2
Molecular Weight
296.400000
Exact Mass
296.225249
SMILES
CCCCCCC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C20H28N2/c1-3-4-5-7-10-17(2)21-19-13-15-20(16-14-19)22-18-11-8-6-9-12-18/h6,8-9,11-17,21-22H,3-5,7,10H2,1-2H3
InChIKey
JQTYAZKTBXWQOM-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
98.01
TPSA
24.06

LogP / Solubility

WLOGP
6.2
MLOGP
5.47
XLogP3
6.8
Consensus LogP
6.16
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.81
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H300 (77.6%): Fatal if swallowed [Danger Acute toxicity, oral] H317 (98%): May cause an allergic skin reaction [Warning Sensitization, Skin] H400 (81.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (91.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H300: Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P270, P272, P273, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P391, P405, and P501

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