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CAS 72869-86-4 DIURETHANE DIMETHACRYLATE, MIXTURE OF ISOMERS molecular structure lightbox
CAS RN: 72869-86-4

DIURETHANE DIMETHACRYLATE, MIXTURE OF ISOMERS

  • Product code: SSC-182354
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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: 25g
  • 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 72869-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

72869-86-4 / 2-[[3,5,5-trimethyl-6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-methylprop-2-enoate

Standard CAS: 72869-86-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
72869-86-4
Multi CAS
Yes
Molecular Formula
C23H38N2O8
Molecular Weight
470.600000
Exact Mass
470.262816
InChI
InChI=1S/C23H38N2O8/c1-16(2)19(26)30-10-12-32-21(28)24-9-8-18(5)14-23(6,7)15-25-22(29)33-13-11-31-20(27)17(3)4/h18H,1,3,8-15H2,2,4-7H3,(H,24,28)(H,25,29)
InChIKey
UEKHZPDUBLCUHN-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.65
Rotatable bonds
15
H-bond acceptors
8
H-bond donors
2
Molar refractivity
122.43
TPSA
129.26

LogP / Solubility

WLOGP
3.12
MLOGP
2.78
XLogP3
4.1
Consensus LogP
3.33
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.11
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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