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CAS 42772-85-0 2-(4-Methylphenyl)sulfonyloxyethanol molecular structure lightbox
CAS RN: 42772-85-0

2-(4-Methylphenyl)sulfonyloxyethanol

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250129 10g In stock Shanghai Inquiry
Batchno.20250213 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250311 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250411 5g In stock Shanghai Inquiry
  • Product code: SSC-151038
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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 42772-85-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

42772-85-0 / 2-hydroxyethyl 4-methylbenzenesulfonate

Standard CAS: 42772-85-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42772-85-0
Multi CAS
Yes
Molecular Formula
C9H12O4S
Molecular Weight
216.260000
Exact Mass
216.045630
InChI
InChI=1S/C9H12O4S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5,10H,6-7H2,1H3
InChIKey
DZVSAHOHDQUFMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.4
TPSA
63.6

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
0.8
Consensus LogP
0.7
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
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)
-3.55

Drug-likeness / Medicinal Chemistry

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

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