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CAS 47862-55-5 TRIS[4-(DIBUTYLAMINO)PHENYL]AMINE molecular structure lightbox
CAS RN: 47862-55-5

TRIS[4-(DIBUTYLAMINO)PHENYL]AMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250917 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-154815
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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 47862-55-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

47862-55-5 / 1-N,1-N-dibutyl-4-N,4-N-bis[4-(dibutylamino)phenyl]benzene-1,4-diamine

Standard CAS: 47862-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
47862-55-5
Multi CAS
No
Molecular Formula
C42H66N4
Molecular Weight
627.000000
Exact Mass
626.528748
InChI
InChI=1S/C42H66N4/c1-7-13-31-43(32-14-8-2)37-19-25-40(26-20-37)46(41-27-21-38(22-28-41)44(33-15-9-3)34-16-10-4)42-29-23-39(24-30-42)45(35-17-11-5)36-18-12-6/h19-30H,7-18,31-36H2,1-6H3
InChIKey
NWRHGRHCMGHVQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
18
Fraction Csp3
0.57
Rotatable bonds
24
H-bond acceptors
4
Molar refractivity
207.21
TPSA
12.96

LogP / Solubility

WLOGP
12.38
MLOGP
10.94
XLogP3
13
Consensus LogP
12.11
Log S (ESOL)
-10.23
Class (ESOL)
Insoluble
Log S (Ali)
-13.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.24

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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