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CAS 13525-99-0 Phosphinic acid,P,P-bis(2-ethylhexyl)- molecular structure lightbox
CAS RN: 13525-99-0

Phosphinic acid,P,P-bis(2-ethylhexyl)-

  • Product code: SSC-043319
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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 13525-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

13525-99-0 / bis(2-ethylhexyl)phosphinic acid

Standard CAS: 13525-99-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13525-99-0
Multi CAS
No
Molecular Formula
C16H35O2P
Molecular Weight
290.420000
Exact Mass
290.237467
SMILES
CCCCC(CC)CP(=O)(CC(CC)CCCC)O
InChI
InChI=1S/C16H35O2P/c1-5-9-11-15(7-3)13-19(17,18)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)
InChIKey
KZIUWSQALWALJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
86.17
TPSA
37.3

LogP / Solubility

WLOGP
5.69
MLOGP
5.02
XLogP3
5.1
Consensus LogP
5.27
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.71
Class (SILICOS-IT)
Insoluble

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)
-0.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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