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CAS 17910-73-5 2-HYDROXY-5-DIBENZOSUBERONE molecular structure lightbox
CAS RN: 17910-73-5

2-HYDROXY-5-DIBENZOSUBERONE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250413 10g In stock Inquiry
Batchno.20250815 1g In stock Inquiry
Batchno.20251201 25g Out of stock Inquiry
Batchno.20250207 5g In stock Inquiry
  • Product code: SSC-079804
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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: ＞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 17910-73-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

17910-73-5 / 6-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one

Standard CAS: 17910-73-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17910-73-5
Multi CAS
No
Molecular Formula
C15H12O2
Molecular Weight
224.250000
Exact Mass
224.083730
SMILES
C1CC2=C(C=CC(=C2)O)C(=O)C3=CC=CC=C31
InChI
InChI=1S/C15H12O2/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)15(14)17/h1-4,7-9,16H,5-6H2
InChIKey
MSGQRAAQALHWFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.13
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.39
TPSA
37.3

LogP / Solubility

WLOGP
2.72
MLOGP
2.4
XLogP3
3.3
Consensus LogP
2.81
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-2.16

Drug-likeness / Medicinal Chemistry

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

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