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CAS 51534-77-1 TERT BUTYL 4-OXOBUTANOATE molecular structure lightbox
CAS RN: 51534-77-1

TERT BUTYL 4-OXOBUTANOATE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251203 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251029 100mg / 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20260316 1g In stock Shanghai, Wuhan Inquiry
Batchno.20260510 250mg In stock Shanghai Inquiry
Batchno.20250806 25g In stock Shanghai Inquiry
Batchno.20260418 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-158433
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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, 5g, 10g
  • 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 51534-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

51534-77-1 / tert-butyl 4-oxobutanoate

Standard CAS: 51534-77-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51534-77-1
Multi CAS
No
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
InChI
InChI=1S/C8H14O3/c1-8(2,3)11-7(10)5-4-6-9/h6H,4-5H2,1-3H3
InChIKey
SFFKUZPNDPDSSE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
41.14
TPSA
43.37

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
0.5
Consensus LogP
0.99
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
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)
-2.76

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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