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CAS 177799-16-5 9,10-Bis[N,N-di(p-tolyl)amino]anthracene molecular structure lightbox
CAS RN: 177799-16-5

9,10-Bis[N,N-di(p-tolyl)amino]anthracene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250706 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-077718
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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 177799-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

177799-16-5 / 9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine

Standard CAS: 177799-16-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
177799-16-5
Multi CAS
No
Molecular Formula
C42H36N2
Molecular Weight
568.700000
Exact Mass
568.287849
SMILES
CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=C4C=CC=CC4=C(C5=CC=CC=C53)N(C6=CC=C(C=C6)C)C7=CC=C(C=C7)C
InChI
InChI=1S/C42H36N2/c1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36/h5-28H,1-4H3
InChIKey
FWXNJWAXBVMBGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
38
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
189.77
TPSA
6.48

LogP / Solubility

WLOGP
12.17
MLOGP
10.75
XLogP3
12.4
Consensus LogP
11.77
Log S (ESOL)
-11.27
Class (ESOL)
Insoluble
Log S (Ali)
-13.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.17
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)
2.45

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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