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CAS 89331-94-2 2′-Anilino-6′-(dibutylamino)-3′-methylfluoran molecular structure lightbox
CAS RN: 89331-94-2

2′-Anilino-6′-(dibutylamino)-3′-methylfluoran

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250101 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250905 10g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260622 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260626 25g In stock Shanghai Inquiry
Batchno.20260514 500g In stock Shenzhen Inquiry
Batchno.20250902 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-201233
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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: 100g
  • 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 89331-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

89331-94-2 / 2'-anilino-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one

Standard CAS: 89331-94-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
89331-94-2
Multi CAS
Yes
Molecular Formula
C35H36N2O3
Molecular Weight
532.700000
Exact Mass
532.272593
InChI
InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3
InChIKey
XAAILNNJDMIMON-UHFFFAOYSA-N

Physical Properties

Physical Description
Dry Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
161.19
TPSA
50.8

LogP / Solubility

WLOGP
8.71
MLOGP
7.71
XLogP3
8.7
Consensus LogP
8.37
Log S (ESOL)
-8.48
Class (ESOL)
Insoluble
Log S (Ali)
-10.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.43
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)
0.22

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7

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