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CAS 89894-44-0 Benzoyl chloride, 2-chloro-6-methyl- (9CI) molecular structure lightbox
CAS RN: 89894-44-0

Benzoyl chloride, 2-chloro-6-methyl- (9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260126 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-202085
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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: 1g, 5g, 0.1g, 0.25g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 89894-44-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Shanghai Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

89894-44-0 / 2-chloro-6-methylbenzoyl chloride

Standard CAS: 89894-44-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89894-44-0
Multi CAS
No
Molecular Formula
C8H6CL2O
Molecular Weight
189.040000
Exact Mass
187.979570
InChI
InChI=1S/C8H6Cl2O/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,1H3
InChIKey
NPRWNQSMJBAKCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.37
TPSA
17.07

LogP / Solubility

WLOGP
3.03
MLOGP
2.66
XLogP3
3.3
Consensus LogP
3
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-1.72

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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