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CAS 234081-94-8 8-(tert-Butoxy)-8-oxooctanoic acid molecular structure lightbox
CAS RN: 234081-94-8

8-(tert-Butoxy)-8-oxooctanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260415 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-113147
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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: 0.25g, 10g, 1g, 5g, 25g
  • Available purity: >97%
  • 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 234081-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
10g >97% 2 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry
25g >97% 1 In Stock Beijing Inquiry

234081-94-8 / 8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid

Standard CAS: 234081-94-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
234081-94-8
Multi CAS
No
Molecular Formula
C12H22O4
Molecular Weight
230.300000
Exact Mass
230.151809
SMILES
CC(C)(C)OC(=O)CCCCCCC(=O)O
InChI
InChI=1S/C12H22O4/c1-12(2,3)16-11(15)9-7-5-4-6-8-10(13)14/h4-9H2,1-3H3,(H,13,14)
InChIKey
BONUHUQZCZQQEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.18
TPSA
63.6

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
2.3
Consensus LogP
2.49
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-2.17

Drug-likeness / Medicinal Chemistry

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

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