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CAS 151671-10-2 TETRAETHYL(3-HYDROXYPROPYLIDENE)BISPHOSPHONATE molecular structure lightbox
CAS RN: 151671-10-2

TETRAETHYL(3-HYDROXYPROPYLIDENE)BISPHOSPHONATE

  • Product code: SSC-061493
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 151671-10-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 1 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

151671-10-2 / 3,4-diethyl-5,5-diphosphonatoheptan-3-ol

Standard CAS: 151671-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151671-10-2
Multi CAS
No
Molecular Formula
C11H22O7P2-4
Molecular Weight
328.240000
Exact Mass
328.084077
SMILES
CCC(C(CC)(CC)O)C(CC)(P(=O)([O-])[O-])P(=O)([O-])[O-]
InChI
InChI=1S/C11H26O7P2/c1-5-15-19(13,16-6-2)11(9-10-12)20(14,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3
InChIKey
CYVCUTSCURIOHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
67.55
TPSA
146.61

LogP / Solubility

WLOGP
-0.5
MLOGP
-0.43
XLogP3
-0.7
Consensus LogP
-0.54
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately 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)
-5.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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