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CAS 42998-03-8 methyl 3-hydroxy-2-methylpropanoate molecular structure lightbox
CAS RN: 42998-03-8

methyl 3-hydroxy-2-methylpropanoate

  • Product code: SSC-151306
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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: ＞97%
  • 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 42998-03-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

42998-03-8 / methyl 3-hydroxy-2-methylpropanoate

Standard CAS: 42998-03-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42998-03-8
Multi CAS
Yes
Molecular Formula
C5H10O3
Molecular Weight
118.130000
Exact Mass
118.062994
InChI
InChI=1S/C5H10O3/c1-4(3-6)5(7)8-2/h4,6H,3H2,1-2H3
InChIKey
ATCCIZURPPEVIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.27
TPSA
46.53

LogP / Solubility

WLOGP
-0.21
MLOGP
-0.2
XLogP3
-0.1
Consensus LogP
-0.17
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very 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)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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