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CAS 529-51-1 5-O-Methyl Quercetin;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-5-Methoxy-4H-1-benzopyran-4-one molecular structure lightbox
CAS RN: 529-51-1

5-O-Methyl Quercetin;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-5-Methoxy-4H-1-benzopyran-4-one

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260524 100mg In stock Shanghai Inquiry
Batchno.20260419 10mg In stock Shanghai Inquiry
Batchno.20260407 25mg In stock Shanghai Inquiry
Batchno.20250706 50mg In stock Shanghai Inquiry
  • Product code: SSC-160052
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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 529-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

529-51-1 / 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxychromen-4-one

Standard CAS: 529-51-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
529-51-1
Multi CAS
Yes
Molecular Formula
C16H12O7
Molecular Weight
316.260000
Exact Mass
316.058303
InChI
InChI=1S/C16H12O7/c1-22-11-5-8(17)6-12-13(11)14(20)15(21)16(23-12)7-2-3-9(18)10(19)4-7/h2-6,17-19,21H,1H3
InChIKey
RJBAXROZAXAEEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
4
Molar refractivity
81.13
TPSA
120.36

LogP / Solubility

WLOGP
2.29
MLOGP
2.03
XLogP3
1.3
Consensus LogP
1.87
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-3.02

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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