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CAS 62625-16-5 Phenolphthalein Disulfate Potassium Salt Hydrate molecular structure lightbox
CAS RN: 62625-16-5

Phenolphthalein Disulfate Potassium Salt Hydrate

  • Product code: SSC-171896
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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 62625-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

62625-16-5 / tripotassium;2-[hydroxy-bis(4-sulfonatooxyphenyl)methyl]benzoate

Standard CAS: 62625-16-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62625-16-5
Multi CAS
Yes
Molecular Formula
C20H13K3O11S2
Molecular Weight
610.700000
Exact Mass
609.881048
InChI
InChI=1S/C20H16O11S2.3K/c21-19(22)17-3-1-2-4-18(17)20(23,13-5-9-15(10-6-13)30-32(24,25)26)14-7-11-16(12-8-14)31-33(27,28)29;;;/h1-12,23H,(H,21,22)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3
InChIKey
PLHSVCWOEHYSHO-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
1
Molar refractivity
106.41
TPSA
193.22

LogP / Solubility

WLOGP
-8.98
MLOGP
-7.85
XLogP3
-8.98
Consensus LogP
-8.6
Log S (ESOL)
2.19
Class (ESOL)
Highly soluble
Log S (Ali)
1.91
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.86
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-12.82

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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