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CAS 88059-65-8 5-ISOPROPYL-2-METHOXY-BENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 88059-65-8

5-ISOPROPYL-2-METHOXY-BENZENESULFONYL CHLORIDE

  • Product code: SSC-198506
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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 88059-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

88059-65-8 / 2-methoxy-5-propan-2-ylbenzenesulfonyl chloride

Standard CAS: 88059-65-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88059-65-8
Multi CAS
No
Molecular Formula
C10H13CLO3S
Molecular Weight
248.730000
Exact Mass
248.027393
InChI
InChI=1S/C10H13ClO3S/c1-7(2)8-4-5-9(14-3)10(6-8)15(11,12)13/h4-7H,1-3H3
InChIKey
MSLSAAVSJMRGIC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
60.12
TPSA
43.37

LogP / Solubility

WLOGP
2.75
MLOGP
2.42
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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)
-2.29

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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