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CAS 131-58-8 2-Methylbenzophenone molecular structure lightbox
CAS RN: 131-58-8

2-Methylbenzophenone

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251003 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20250524 1kg Out of stock Inquiry
Batchno.20250306 500g In stock Shanghai, Shenzhen Inquiry
Batchno.20250302 5g In stock Shanghai, Tianjin Inquiry
Batchno.20250524 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-037610
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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: 10g, 5g, 25g, 100g
  • Available purity: >97%
  • 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 131-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Beijing Inquiry
5g >97% 4 In Stock Shanghai Inquiry
25g >97% 1 In Stock Shenzhen Inquiry
100g >97% 1 In Stock Shenzhen Inquiry

131-58-8 / (2-methylphenyl)-phenylmethanone

Standard CAS: 131-58-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
131-58-8
Multi CAS
No
Molecular Formula
C14H12O
Molecular Weight
196.240000
Exact Mass
196.088815
SMILES
CC1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10H,1H3
InChIKey
CKGKXGQVRVAKEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61.05
TPSA
17.07

LogP / Solubility

WLOGP
3.23
MLOGP
2.84
XLogP3
3.1
Consensus LogP
3.06
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (86.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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