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CAS 847416-52-8 cis-3-tert-Butoxycarbonylmethyl-cyclobutanecarboxylic acid molecular structure lightbox
CAS RN: 847416-52-8

cis-3-tert-Butoxycarbonylmethyl-cyclobutanecarboxylic acid

  • Product code: SSC-192298
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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: 0.05g, 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • 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 847416-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 1 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry

847416-52-8 / 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclobutane-1-carboxylic acid

Standard CAS: 847416-52-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
847416-52-8
Multi CAS
Yes
Molecular Formula
C11H18O4
Molecular Weight
214.260000
Exact Mass
214.120509
InChI
InChI=1S/C11H18O4/c1-11(2,3)15-9(12)6-7-4-8(5-7)10(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)
InChIKey
ZNUHNXJFVFZURM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.31
TPSA
63.6

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
1.3
Consensus LogP
1.58
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.73

Drug-likeness / Medicinal Chemistry

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

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