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CAS 60987-20-4 4,5-dimethoxy-2-methylbenzene-1-sulfonyl chloride molecular structure lightbox
CAS RN: 60987-20-4

4,5-dimethoxy-2-methylbenzene-1-sulfonyl chloride

  • Product code: SSC-169681
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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 60987-20-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

60987-20-4 / 4,5-dimethoxy-2-methylbenzenesulfonyl chloride

Standard CAS: 60987-20-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60987-20-4
Multi CAS
No
Molecular Formula
C9H11CLO4S
Molecular Weight
250.700000
Exact Mass
250.006658
InChI
InChI=1S/C9H11ClO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3
InChIKey
IRHPZJPWXHAKBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
57.32
TPSA
52.6

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
2.3
Consensus LogP
1.98
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-2.87

Drug-likeness / Medicinal Chemistry

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

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