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CAS 16069-23-1 Methacrylic acid, 2-hydroxyethyl ester diphenyl phosphate molecular structure lightbox
CAS RN: 16069-23-1

Methacrylic acid, 2-hydroxyethyl ester diphenyl phosphate

  • Product code: SSC-068504
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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: 5g
  • 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 16069-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

16069-23-1 / 2-diphenoxyphosphoryloxyethyl 2-methylprop-2-enoate

Standard CAS: 16069-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16069-23-1
Multi CAS
No
Molecular Formula
C18H19O6P
Molecular Weight
362.300000
Exact Mass
362.091925
SMILES
CC(=C)C(=O)OCCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C18H19O6P/c1-15(2)18(19)21-13-14-22-25(20,23-16-9-5-3-6-10-16)24-17-11-7-4-8-12-17/h3-12H,1,13-14H2,2H3
InChIKey
VPCUASPSUAEJFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
93.47
TPSA
71.06

LogP / Solubility

WLOGP
4.39
MLOGP
3.88
XLogP3
4
Consensus LogP
4.09
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.74
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
Yes
Log Kp (skin permeation)
-1.81

Drug-likeness / Medicinal Chemistry

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

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