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CAS 5116-94-9 TRIDECYL ACID PHOSPHATE molecular structure lightbox
CAS RN: 5116-94-9

TRIDECYL ACID PHOSPHATE

  • Product code: SSC-157983
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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 5116-94-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 5 In Stock Hong Kong Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Shenzhen Inquiry

5116-94-9 / tridecyl dihydrogen phosphate

Standard CAS: 5116-94-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5116-94-9
Multi CAS
Yes
Molecular Formula
C13H29O4P
Molecular Weight
280.340000
Exact Mass
280.180346
InChI
InChI=1S/C13H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16/h2-13H2,1H3,(H2,14,15,16)
InChIKey
GAJQCIFYLSXSEZ-UHFFFAOYSA-N

Physical Properties

Physical Description
Tridecyl acid phosphate appears as a liquid. May severely irritate skin, eyes or mucous membranes.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
2
H-bond donors
2
Molar refractivity
74.46
TPSA
66.76

LogP / Solubility

WLOGP
4.41
MLOGP
3.89
XLogP3
4.6
Consensus LogP
4.3
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.3

Drug-likeness / Medicinal Chemistry

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

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