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CAS 101488-73-7 2,6-Dihydroxyanthracene molecular structure lightbox
CAS RN: 101488-73-7

2,6-Dihydroxyanthracene

  • Product code: SSC-002320
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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 101488-73-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

101488-73-7 / anthracene-2,6-diol

ANTHRACENE-2,6-DIOL | DTXSID60541545 | RefChem:319762

Standard CAS: 101488-73-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101488-73-7
Multi CAS
No
Molecular Formula
C14H10O2
Molecular Weight
210.230000
Exact Mass
210.068080
SMILES
C1=CC(=CC2=CC3=C(C=C21)C=C(C=C3)O)O
InChI
InChI=1S/C14H10O2/c15-13-3-1-9-5-12-8-14(16)4-2-10(12)6-11(9)7-13/h1-8,15-16H
InChIKey
JBBHFHMVEOHFRE-UHFFFAOYSA-N
Synonyms
ANTHRACENE-2,6-DIOL DTXSID60541545 RefChem:319762 DTXCID10492331 2,6-Anthracenediol

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.78
TPSA
40.46

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
3.7
Consensus LogP
3.37
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.59

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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