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CAS 82137-81-3 2′-(2-Chloroanilino)-6′-(dibutylamino)fluoran molecular structure lightbox
CAS RN: 82137-81-3

2′-(2-Chloroanilino)-6′-(dibutylamino)fluoran

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250819 100g Out of stock Inquiry
Batchno.20260307 25g Out of stock Inquiry
Batchno.20250906 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-190363
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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: ≥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 82137-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

82137-81-3 / 2'-(2-chloroanilino)-6'-(dibutylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one

Standard CAS: 82137-81-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82137-81-3
Multi CAS
No
Molecular Formula
C34H33CLN2O3
Molecular Weight
553.100000
Exact Mass
552.217971
InChI
InChI=1S/C34H33ClN2O3/c1-3-5-19-37(20-6-4-2)24-16-17-27-32(22-24)39-31-18-15-23(36-30-14-10-9-13-29(30)35)21-28(31)34(27)26-12-8-7-11-25(26)33(38)40-34/h7-18,21-22,36H,3-6,19-20H2,1-2H3
InChIKey
ZXYPDMNPLWGWBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
161.46
TPSA
50.8

LogP / Solubility

WLOGP
9.06
MLOGP
8.01
XLogP3
8.9
Consensus LogP
8.66
Log S (ESOL)
-8.83
Class (ESOL)
Insoluble
Log S (Ali)
-10.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.85
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)
0.34

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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