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CAS 82578-45-8 (+)-TERT-BUTYL (S)-3-HYDROXYBUTYRATE molecular structure lightbox
CAS RN: 82578-45-8

(+)-TERT-BUTYL (S)-3-HYDROXYBUTYRATE

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250505 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250526 50mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-190678
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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: ＞95%
  • 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 82578-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

82578-45-8 / tert-butyl 3-hydroxybutanoate

Standard CAS: 82578-45-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82578-45-8
Multi CAS
Yes
Molecular Formula
C8H16O3
Molecular Weight
160.210000
Exact Mass
160.109944
InChI
InChI=1S/C8H16O3/c1-6(9)5-7(10)11-8(2,3)4/h6,9H,5H2,1-4H3/t6-/m0/s1
InChIKey
PKPVFILAHLKSNJ-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.14
TPSA
46.53

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
0.8
Consensus LogP
0.95
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.92

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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