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CAS 68842-66-0 2,4-Bis[4-(diethylamino)-2-hydroxyphenyl]squaraine molecular structure lightbox
CAS RN: 68842-66-0

2,4-Bis[4-(diethylamino)-2-hydroxyphenyl]squaraine

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260327 1g Out of stock Inquiry
Batchno.20260528 250mg Out of stock Inquiry
Batchno.20250916 5g Out of stock Inquiry
  • Product code: SSC-178512
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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: ≥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 68842-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

68842-66-0 / 3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one

Standard CAS: 68842-66-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68842-66-0
Multi CAS
Yes
Molecular Formula
C24H28N2O4
Molecular Weight
408.500000
Exact Mass
408.204907
InChI
InChI=1S/C24H28N2O4/c1-5-25(6-2)15-9-11-17(19(27)13-15)21-23(29)22(24(21)30)18-12-10-16(14-20(18)28)26(7-3)8-4/h9-14,27,29H,5-8H2,1-4H3
InChIKey
ODWFNEITXILTAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
118.4
TPSA
81.08

LogP / Solubility

WLOGP
3.75
MLOGP
3.33
XLogP3
3.4
Consensus LogP
3.49
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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