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CAS 4261-42-1 Isoorientin molecular structure lightbox
CAS RN: 4261-42-1

Isoorientin

Product Availability

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9 package records9 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260130 100mg In stock Shanghai Inquiry
Batchno.20251111 10mg In stock Shanghai Inquiry
Batchno.20250606 1g In stock Shanghai Inquiry
Batchno.20250329 1mg In stock Shanghai Inquiry
Batchno.20260324 250mg In stock Shanghai Inquiry
Batchno.20251013 25mg In stock Shanghai Inquiry
Batchno.20250912 50mg In stock Shanghai Inquiry
Batchno.20251014 5g In stock Shanghai Inquiry
Batchno.20260506 5mg In stock Shanghai Inquiry
  • Product code: SSC-150931
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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: ≥98%
  • 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 4261-42-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

4261-42-1 / 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Standard CAS: 4261-42-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4261-42-1
Multi CAS
Yes
Molecular Formula
C21H20O11
Molecular Weight
448.400000
Exact Mass
448.100561
InChI
InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1
InChIKey
ODBRNZZJSYPIDI-VJXVFPJBSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
11
H-bond donors
8
Molar refractivity
107.3
TPSA
201.28

LogP / Solubility

WLOGP
-0.2
MLOGP
-0.15
XLogP3
-0.2
Consensus LogP
-0.18
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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