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CAS 766513-36-4 3-oxo-1-phenyl-Cyclobutanecarboxylic acid molecular structure lightbox
CAS RN: 766513-36-4

3-oxo-1-phenyl-Cyclobutanecarboxylic acid

  • Product code: SSC-186090
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 766513-36-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry

766513-36-4 / 3-oxo-1-phenylcyclobutane-1-carboxylic acid

Standard CAS: 766513-36-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
766513-36-4
Multi CAS
No
Molecular Formula
C11H10O3
Molecular Weight
190.190000
Exact Mass
190.062994
InChI
InChI=1S/C11H10O3/c12-9-6-11(7-9,10(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)
InChIKey
CBTBZTPIJYOBQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50
TPSA
54.37

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
0.7
Consensus LogP
1.09
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.91

Drug-likeness / Medicinal Chemistry

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

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