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CAS 165393-06-6 3,8,9-Trihydroxy-6H-benzo[c]chromen-6-one molecular structure lightbox
CAS RN: 165393-06-6

3,8,9-Trihydroxy-6H-benzo[c]chromen-6-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250607 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-072253
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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 165393-06-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

165393-06-6 / 3,8,9-trihydroxybenzo[c]chromen-6-one

Standard CAS: 165393-06-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
165393-06-6
Multi CAS
No
Molecular Formula
C13H8O5
Molecular Weight
244.200000
Exact Mass
244.037173
SMILES
C1=CC2=C(C=C1O)OC(=O)C3=CC(=C(C=C23)O)O
InChI
InChI=1S/C13H8O5/c14-6-1-2-7-8-4-10(15)11(16)5-9(8)13(17)18-12(7)3-6/h1-5,14-16H
InChIKey
HHXMEXZVPJFAIJ-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
H-bond acceptors
5
H-bond donors
3
Molar refractivity
64.98
TPSA
90.9

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
2
Consensus LogP
1.96
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

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

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