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CAS 55661-08-0 4-Methoxy-2,6-dimethylbenzenesulfonyl chloride molecular structure lightbox
CAS RN: 55661-08-0

4-Methoxy-2,6-dimethylbenzenesulfonyl chloride

  • Product code: SSC-163577
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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, 5g, 10g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 55661-08-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 3 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry
10g >95% 2 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry

55661-08-0 / 4-methoxy-2,6-dimethylbenzenesulfonyl chloride

Standard CAS: 55661-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55661-08-0
Multi CAS
No
Molecular Formula
C9H11CLO3S
Molecular Weight
234.700000
Exact Mass
234.011743
InChI
InChI=1S/C9H11ClO3S/c1-6-4-8(13-3)5-7(2)9(6)14(10,11)12/h4-5H,1-3H3
InChIKey
FARJAHHRGCAAOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
55.51
TPSA
43.37

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2.6
Consensus LogP
2.27
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.56

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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