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CAS 10425-11-3 3,4-Dihydroxybenzophenone molecular structure lightbox
CAS RN: 10425-11-3

3,4-Dihydroxybenzophenone

  • Product code: SSC-006005
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 5g, 10g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10425-11-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 5 In Stock Beijing Inquiry
100g ≥97% 5 In Stock Beijing Inquiry
5g ≥97% 4 In Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

10425-11-3 / (3,4-dihydroxyphenyl)-phenylmethanone

3,4-Dihydroxybenzophenone | Methanone, (3,4-dihydroxyphenyl)phenyl- | DTXSID90146360

Standard CAS: 10425-11-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10425-11-3
Multi CAS
Yes
Molecular Formula
C13H10O3
Molecular Weight
214.220000
Exact Mass
214.062994
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H
InChIKey
ARWCZKJISXFBGI-UHFFFAOYSA-N
Synonyms
3,4-Dihydroxybenzophenone Methanone, (3,4-dihydroxyphenyl)phenyl- DTXSID90146360 RefChem:91145 DTXCID1068851

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.65
TPSA
57.53

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.6
Consensus LogP
2.33
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
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)
-2.37

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 Environmental Hazard
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] H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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