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CAS 182007-75-6 (S)-4-(tert-Butoxy)-2-methyl-4-oxobutanoic acid molecular structure lightbox
CAS RN: 182007-75-6

(S)-4-(tert-Butoxy)-2-methyl-4-oxobutanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-082765
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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: 1g
  • 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 182007-75-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

182007-75-6 / (2S)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

Standard CAS: 182007-75-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
182007-75-6
Multi CAS
No
Molecular Formula
C9H16O4
Molecular Weight
188.220000
Exact Mass
188.104859
SMILES
C[C@@H](CC(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C9H16O4/c1-6(8(11)12)5-7(10)13-9(2,3)4/h6H,5H2,1-4H3,(H,11,12)/t6-/m0/s1
InChIKey
RSLMNCHJSYDERN-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.26
TPSA
63.6

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
1.1
Consensus LogP
1.27
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately 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)
-2.85

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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