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CAS 27489-33-4 2-(METHYLSULFONYL)PHENOL molecular structure lightbox
CAS RN: 27489-33-4

2-(METHYLSULFONYL)PHENOL

  • Product code: SSC-126862
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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: 5g
  • 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 27489-33-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

27489-33-4 / 2-methylsulfonylphenol

Standard CAS: 27489-33-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27489-33-4
Multi CAS
No
Molecular Formula
C7H8O3S
Molecular Weight
172.200000
Exact Mass
172.019415
InChI
InChI=1S/C7H8O3S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5,8H,1H3
InChIKey
ZWTZHHHSRDUVRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.22
TPSA
54.37

LogP / Solubility

WLOGP
0.8
MLOGP
0.7
XLogP3
1.4
Consensus LogP
0.97
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-3.21

Drug-likeness / Medicinal Chemistry

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

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