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CAS 134612-84-3 4′-Chloro-3,4-dihydroxybenzophenone molecular structure lightbox
CAS RN: 134612-84-3

4′-Chloro-3,4-dihydroxybenzophenone

  • Product code: SSC-042453
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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: 25g
  • 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 134612-84-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

134612-84-3 / (4-chlorophenyl)-(3,4-dihydroxyphenyl)methanone

Standard CAS: 134612-84-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134612-84-3
Multi CAS
No
Molecular Formula
C13H9ClO3
Molecular Weight
248.660000
Exact Mass
248.024022
SMILES
C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)O)O)Cl
InChI
InChI=1S/C13H9ClO3/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9/h1-7,15-16H
InChIKey
SYNNFRPIIUNOHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.66
TPSA
57.53

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
3
Consensus LogP
2.87
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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