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CAS 30818-70-3 DIETHYL (4-BIPHENYLYLMETHYL)PHOSPHONATE molecular structure lightbox
CAS RN: 30818-70-3

DIETHYL (4-BIPHENYLYLMETHYL)PHOSPHONATE

  • Product code: SSC-135883
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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 30818-70-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

30818-70-3 / 1-(diethoxyphosphorylmethyl)-4-phenylbenzene

Standard CAS: 30818-70-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30818-70-3
Multi CAS
No
Molecular Formula
C17H21O3P
Molecular Weight
304.320000
Exact Mass
304.122832
InChI
InChI=1S/C17H21O3P/c1-3-19-21(18,20-4-2)14-15-10-12-17(13-11-15)16-8-6-5-7-9-16/h5-13H,3-4,14H2,1-2H3
InChIKey
HWKCLILHNFWQFV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
86.44
TPSA
35.53

LogP / Solubility

WLOGP
5.12
MLOGP
4.52
XLogP3
3.3
Consensus LogP
4.31
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.94

Drug-likeness / Medicinal Chemistry

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

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