[email protected]
CAS 91424-39-4 3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]pentanedioic Acid Diethyl Ester molecular structure lightbox
CAS RN: 91424-39-4

3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]pentanedioic Acid Diethyl Ester

  • Product code: SSC-204493
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 91424-39-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

91424-39-4 / diethyl 3-[tert-butyl(dimethyl)silyl]oxypentanedioate

Standard CAS: 91424-39-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91424-39-4
Multi CAS
No
Molecular Formula
C15H30O5Si
Molecular Weight
318.480000
Exact Mass
318.186251
InChI
InChI=1S/C15H30O5Si/c1-8-18-13(16)10-12(11-14(17)19-9-2)20-21(6,7)15(3,4)5/h12H,8-11H2,1-7H3
InChIKey
PPZUZFQSSULNGN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.87
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
84.57
TPSA
61.83

LogP / Solubility

WLOGP
3.28
MLOGP
2.9
XLogP3
3.28
Consensus LogP
3.15
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

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

Customers Also Viewed

Get In Touch

Contact Us