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CAS 27072-45-3 Fluorescein Isothiocyanate (mixture of 5- and 6- isomers) molecular structure lightbox
CAS RN: 27072-45-3

Fluorescein Isothiocyanate (mixture of 5- and 6- isomers)

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250818 1g In stock Inquiry
Batchno.20260630 250mg In stock Inquiry
Batchno.20250226 50mg In stock Inquiry
Batchno.20250515 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250126 100mg In stock Inquiry
Batchno.20250704 1g In stock Inquiry
Batchno.20250607 250mg In stock Inquiry
Batchno.20250510 50mg In stock Inquiry
Batchno.20260330 5g In stock Inquiry
  • Product code: SSC-125772
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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 27072-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

27072-45-3 / 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one

Standard CAS: 27072-45-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
27072-45-3
Multi CAS
No
Molecular Formula
C21H11NO5S
Molecular Weight
389.400000
Exact Mass
389.035794
SMILES
C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI
InChI=1S/C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-9,23-24H
InChIKey
MHMNJMPURVTYEJ-UHFFFAOYSA-N

Physical Properties

Physical Description
Orange solid; [Merck Index] Orange powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
2
Molar refractivity
102.71
TPSA
88.35

LogP / Solubility

WLOGP
4.4
MLOGP
3.89
XLogP3
4.8
Consensus LogP
4.36
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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