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CAS 177325-75-6 2,4-Bis(phenylsulfonyl)phenol molecular structure lightbox
CAS RN: 177325-75-6

2,4-Bis(phenylsulfonyl)phenol

  • Product code: SSC-077508
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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: 500g
  • Available purity: ≥97%
  • 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 177325-75-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Hong Kong Inquiry

177325-75-6 / 2,4-bis(benzenesulfonyl)phenol

Standard CAS: 177325-75-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
177325-75-6
Multi CAS
No
Molecular Formula
C18H14O5S2
Molecular Weight
374.400000
Exact Mass
374.028266
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H14O5S2/c19-17-12-11-16(24(20,21)14-7-3-1-4-8-14)13-18(17)25(22,23)15-9-5-2-6-10-15/h1-13,19H
InChIKey
LCJQCYQTWIAJBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
91.89
TPSA
88.51

LogP / Solubility

WLOGP
3.06
MLOGP
2.71
XLogP3
3.1
Consensus LogP
2.96
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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