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CAS 71501-19-4 9-(4′-Dimethylaminophenyl)-2,6,7-trihydroxyfluorone Sulfate Hydrate molecular structure lightbox
CAS RN: 71501-19-4

9-(4′-Dimethylaminophenyl)-2,6,7-trihydroxyfluorone Sulfate Hydrate

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250105 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250103 200mg In stock Shanghai Inquiry
  • Product code: SSC-181108
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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 71501-19-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

71501-19-4 / 9-[4-(dimethylamino)phenyl]-2,6,7-trihydroxyxanthen-3-one;sulfuric acid

Standard CAS: 71501-19-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71501-19-4
Multi CAS
Yes
Molecular Formula
C21H19NO9S
Molecular Weight
461.400000
Exact Mass
461.078052
InChI
InChI=1S/C21H17NO5.H2O4S/c1-22(2)12-5-3-11(4-6-12)21-13-7-15(23)17(25)9-19(13)27-20-10-18(26)16(24)8-14(20)21;1-5(2,3)4/h3-10,23-25H,1-2H3;(H2,1,2,3,4)
InChIKey
QEZUFUTYIOMXPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
20
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
5
Molar refractivity
118.04
TPSA
168.74

LogP / Solubility

WLOGP
3.09
MLOGP
2.75
XLogP3
3.09
Consensus LogP
2.98
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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