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CAS 71519-95-4 2-[2,4-bis(tert-butyl)phenoxy]-5,5-dimethyl-1,3,2-dioxaphosphorinane molecular structure lightbox
CAS RN: 71519-95-4

2-[2,4-bis(tert-butyl)phenoxy]-5,5-dimethyl-1,3,2-dioxaphosphorinane

  • Product code: SSC-181118
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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 71519-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

71519-95-4 / 2-(2,4-ditert-butylphenoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane

Standard CAS: 71519-95-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71519-95-4
Multi CAS
No
Molecular Formula
C19H31O3P
Molecular Weight
338.400000
Exact Mass
338.201082
InChI
InChI=1S/C19H31O3P/c1-17(2,3)14-9-10-16(15(11-14)18(4,5)6)22-23-20-12-19(7,8)13-21-23/h9-11H,12-13H2,1-8H3
InChIKey
DLOCWLUOVMSSII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
97.08
TPSA
27.69

LogP / Solubility

WLOGP
5.96
MLOGP
5.26
XLogP3
6.2
Consensus LogP
5.81
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.05
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.55

Drug-likeness / Medicinal Chemistry

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

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