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CAS 905954-18-9 Isopsoralenoside, Analytical reference molecular structure lightbox
CAS RN: 905954-18-9

Isopsoralenoside, Analytical reference

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260102 100mg In stock Shanghai Inquiry
Batchno.20250325 10mg In stock Shanghai Inquiry
Batchno.20251103 25mg In stock Shanghai Inquiry
Batchno.20260312 50mg In stock Shanghai Inquiry
Batchno.20260307 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250909 20mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-203152
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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 905954-18-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

905954-18-9 / (Z)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]prop-2-enoic acid

Standard CAS: 905954-18-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
905954-18-9
Multi CAS
Yes
Molecular Formula
C17H18O9
Molecular Weight
366.300000
Exact Mass
366.095082
InChI
InChI=1S/C17H18O9/c18-7-11-13(21)14(22)15(23)17(25-11)26-16-8(2-4-12(19)20)1-3-10-9(16)5-6-24-10/h1-6,11,13-15,17-18,21-23H,7H2,(H,19,20)/b4-2-/t11-,13-,14+,15-,17+/m1/s1
InChIKey
CAMYXILYLXYDFE-MIVOEOINSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
5
Molar refractivity
87.28
TPSA
149.82

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.24
XLogP3
0.1
Consensus LogP
-0.14
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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