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CAS 75650-38-3 Benzoyl chloride, 3-formyl- (9CI) molecular structure lightbox
CAS RN: 75650-38-3

Benzoyl chloride, 3-formyl- (9CI)

  • Product code: SSC-185086
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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: 0.25g, 1g, 0.1g, 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 75650-38-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Beijing Inquiry

75650-38-3 / 3-formylbenzoyl chloride

Standard CAS: 75650-38-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75650-38-3
Multi CAS
No
Molecular Formula
C8H5CLO2
Molecular Weight
168.570000
Exact Mass
167.997807
InChI
InChI=1S/C8H5ClO2/c9-8(11)7-3-1-2-6(4-7)5-10/h1-5H
InChIKey
LNRRJKXBZVUZHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.01
TPSA
34.14

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
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)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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