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CAS 55056-80-9 Protodioscin molecular structure lightbox
CAS RN: 55056-80-9

Protodioscin

Product Availability

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8 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250905 100mg In stock Shanghai Inquiry
Batchno.20250512 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250914 1g In stock Shanghai Inquiry
Batchno.20260226 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20260212 250mg In stock Shanghai Inquiry
Batchno.20260521 25mg In stock Shanghai, Wuhan Inquiry
Batchno.20251119 50mg In stock Shanghai Inquiry
Batchno.20250522 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-162909
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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: 0.25g
  • 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 55056-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

55056-80-9 / (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 55056-80-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55056-80-9
Multi CAS
Yes
Molecular Formula
C51H84O22
Molecular Weight
1049.200000
Exact Mass
1048.545424
InChI
InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21+,22+,23+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1
InChIKey
LVTJOONKWUXEFR-UEZXSUPNSA-N

Computed Properties

Structural Parameters

Heavy atom count
73
Fraction Csp3
0.96
Rotatable bonds
14
H-bond acceptors
22
H-bond donors
13
Molar refractivity
248.76
TPSA
346.06

LogP / Solubility

WLOGP
-1.98
MLOGP
-1.64
XLogP3
-1.3
Consensus LogP
-1.64
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble

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)
-10.53

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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