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CAS 73312-15-9 4-CYANO-4-(3-METHYLPHENYL)CYCLOHEXANONE molecular structure lightbox
CAS RN: 73312-15-9

4-CYANO-4-(3-METHYLPHENYL)CYCLOHEXANONE

  • Product code: SSC-182783
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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, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 73312-15-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry

73312-15-9 / 1-(3-methylphenyl)-4-oxocyclohexane-1-carbonitrile

Standard CAS: 73312-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73312-15-9
Multi CAS
No
Molecular Formula
C14H15NO
Molecular Weight
213.270000
Exact Mass
213.115364
InChI
InChI=1S/C14H15NO/c1-11-3-2-4-12(9-11)14(10-15)7-5-13(16)6-8-14/h2-4,9H,5-8H2,1H3
InChIKey
RDCYDXANZMCSCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.95
TPSA
40.86

LogP / Solubility

WLOGP
2.9
MLOGP
2.55
XLogP3
2
Consensus LogP
2.48
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly 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)
-1.96

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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