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CAS 27176-10-9 TRI-POTASSIUM PHOSPHATE MONOHYDRATE molecular structure lightbox
CAS RN: 27176-10-9

TRI-POTASSIUM PHOSPHATE MONOHYDRATE

  • Product code: SSC-126017
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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: 100g
  • 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 27176-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >95% 0 Out of Stock Shanghai Inquiry

27176-10-9 / tripotassium;phosphate;hydrate

Standard CAS: 27176-10-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27176-10-9
Multi CAS
No
Molecular Formula
H2K3O5P
Molecular Weight
230.280000
Exact Mass
229.855105
SMILES
O.[O-]P(=O)([O-])[O-].[K+].[K+].[K+]
InChI
InChI=1S/3K.H3O4P.H2O/c;;;1-5(2,3)4;/h;;;(H3,1,2,3,4);1H2/q3*+1;;/p-3
InChIKey
RMNIZOOYFMNEJJ-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
11.22
TPSA
117.75

LogP / Solubility

WLOGP
-12.64
MLOGP
-11.12
XLogP3
-12.64
Consensus LogP
-12.13
Log S (ESOL)
6.69
Class (ESOL)
Highly soluble
Log S (Ali)
7.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
9.33
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)
-13.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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