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CAS 17241-59-7 2-(Hydroxymethyl)anthracene-9,10-dione molecular structure lightbox
CAS RN: 17241-59-7

2-(Hydroxymethyl)anthracene-9,10-dione

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250829 1g In stock Inquiry
Batchno.20250316 250mg In stock Inquiry
  • Product code: SSC-075802
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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 17241-59-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

17241-59-7 / 2-(hydroxymethyl)anthracene-9,10-dione

Standard CAS: 17241-59-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17241-59-7
Multi CAS
No
Molecular Formula
C15H10O3
Molecular Weight
238.240000
Exact Mass
238.062994
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CO
InChI
InChI=1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2
InChIKey
JYKHAJGLEVKEAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.67
TPSA
54.37

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
2.7
Consensus LogP
2.12
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

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

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