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CAS 42726-73-8 TERT-BUTYL METHYL MALONATE molecular structure lightbox
CAS RN: 42726-73-8

TERT-BUTYL METHYL MALONATE

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250418 100g In stock Inquiry
Batchno.20250111 10g In stock Inquiry
Batchno.20251105 1g In stock Inquiry
Batchno.20260417 25g In stock Inquiry
Batchno.20250709 5g In stock Inquiry
  • Product code: SSC-151003
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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, 100g, 500g, 1000g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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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 42726-73-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry
10g >95% 5 In Stock Shenzhen Inquiry
25g >95% 5 In Stock Beijing Inquiry
100g >95% 5 In Stock Beijing Inquiry
500g >95% 0 Out of Stock Shanghai Inquiry
1000g >95% 0 Out of Stock Hong Kong Inquiry

42726-73-8 / 3-O-tert-butyl 1-O-methyl propanedioate

Standard CAS: 42726-73-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42726-73-8
Multi CAS
Yes
Molecular Formula
C8H14O4
Molecular Weight
174.190000
Exact Mass
174.089209
InChI
InChI=1S/C8H14O4/c1-8(2,3)12-7(10)5-6(9)11-4/h5H2,1-4H3
InChIKey
XPSYZCWYRWHVCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.48
TPSA
52.6

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
1.1
Consensus LogP
0.92
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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