[email protected]
CAS 12167-74-7 Calcium phosphate tribasic molecular structure lightbox
CAS RN: 12167-74-7

Calcium phosphate tribasic

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250703 100g In stock Shanghai Inquiry
Batchno.20260114 1kg In stock Shanghai Inquiry
Batchno.20251228 500g In stock Shanghai Inquiry
  • Product code: starshine_CAS12167-74-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

12167-74-7 / pentacalcium;hydroxide;triphosphate

Standard CAS: 12167-74-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
12167-74-7
Multi CAS
No
Molecular Formula
Ca5HO13P3
Molecular Weight
502.300000
Exact Mass
501.675955
SMILES
[OH-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
InChI
InChI=1S/5Ca.3H3O4P.H2O/c;;;;;3*1-5(2,3)4;/h;;;;;3*(H3,1,2,3,4);1H2/q5*+2;;;;/p-10
InChIKey
XYJRXVWERLGGKC-UHFFFAOYSA-D

Physical Properties

Density
Density: 3.1 to 3.2 /Apatite/
Physical Description
NKRA; Water or Solvent Wet Solid; Dry Powder; Liquid; Other Solid Solid; [Merck Index] White suspension
Appearance
Hexagonal needles arranged in rosettes Finely divided, crystalline, nonstoichiometric material.
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
H-bond acceptors
13
H-bond donors
1
Molar refractivity
53.53
TPSA
288.75

LogP / Solubility

WLOGP
-10.55
MLOGP
-9.25
XLogP3
-10.55
Consensus LogP
-10.12
Log S (ESOL)
3.7
Class (ESOL)
Highly soluble
Log S (Ali)
3.94
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.84
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)
-13.28

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
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 362 of 370 companies (only 2.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website. Reported as not meeting GHS hazard criteria by 188 of 200 companies (only 6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us