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CAS 102067-84-5 Sappanone A molecular structure lightbox
CAS RN: 102067-84-5

Sappanone A

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250725 100mg In stock Shanghai Inquiry
Batchno.20250305 250mg In stock Shanghai Inquiry
Batchno.20250503 25mg In stock Shanghai Inquiry
Batchno.20250429 50mg In stock Shanghai Inquiry
Batchno.20250312 5mg In stock Shanghai Inquiry
Batchno.20250127 5mg / 10mg / 50mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-003313
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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: 0.1g
  • 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 102067-84-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

102067-84-5 / (3E)-3-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxychromen-4-one

SAPPANONE A | 659E9Z3J5X | RefChem:181267

Standard CAS: 102067-84-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102067-84-5
Multi CAS
Yes
Molecular Formula
C16H12O5
Molecular Weight
284.260000
Exact Mass
284.068473
SMILES
C1/C(=C\C2=CC(=C(C=C2)O)O)/C(=O)C3=C(O1)C=C(C=C3)O
InChI
InChI=1S/C16H12O5/c17-11-2-3-12-15(7-11)21-8-10(16(12)20)5-9-1-4-13(18)14(19)6-9/h1-7,17-19H,8H2/b10-5+
InChIKey
KVYZXXBTJHJISR-BJMVGYQFSA-N
Synonyms
SAPPANONE A 659E9Z3J5X RefChem:181267 (3E)-3-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxychromen-4-one (3E)-3-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
3
Molar refractivity
75.68
TPSA
86.99

LogP / Solubility

WLOGP
2.46
MLOGP
2.18
XLogP3
2.3
Consensus LogP
2.31
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly 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)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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