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CAS 3012-71-3 6-FITC molecular structure lightbox
CAS RN: 3012-71-3

6-FITC

  • Product code: SSC-133784
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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: 90%
  • 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 3012-71-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 90% 0 Out of Stock Hong Kong Inquiry

3012-71-3 / 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one

Standard CAS: 3012-71-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3012-71-3
Multi CAS
Yes
Molecular Formula
C21H11NO5S
Molecular Weight
389.400000
Exact Mass
389.035794
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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