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CAS 1018-97-9 bis(2-methylphenyl)methanone molecular structure lightbox
CAS RN: 1018-97-9

bis(2-methylphenyl)methanone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251002 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-002828
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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 1018-97-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1018-97-9 / bis(2-methylphenyl)methanone

Bis(2-methylphenyl)methanone | di-o-tolylmethanone | 2,2'-DIMETHYLBENZOPHENONE

Standard CAS: 1018-97-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1018-97-9
Multi CAS
Yes
Molecular Formula
C15H14O
Molecular Weight
210.270000
Exact Mass
210.104465
SMILES
CC1=CC=CC=C1C(=O)C2=CC=CC=C2C
InChI
InChI=1S/C15H14O/c1-11-7-3-5-9-13(11)15(16)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKey
QPRFAFKPBOLMDI-UHFFFAOYSA-N
Synonyms
Bis(2-methylphenyl)methanone di-o-tolylmethanone 2,2'-DIMETHYLBENZOPHENONE tolyl ketone MFCD00094725

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
65.79
TPSA
17.07

LogP / Solubility

WLOGP
3.53
MLOGP
3.11
XLogP3
3.2
Consensus LogP
3.28
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49

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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