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CAS 17680-84-1 HOMOPLANTAGININ molecular structure lightbox
CAS RN: 17680-84-1

HOMOPLANTAGININ

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260203 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250421 100mg In stock Shanghai Inquiry
Batchno.20250210 10mg In stock Shanghai Inquiry
Batchno.20260215 1mg In stock Shanghai Inquiry
Batchno.20260118 250mg In stock Shanghai Inquiry
Batchno.20260515 50mg In stock Shanghai Inquiry
Batchno.20250513 5mg In stock Shanghai Inquiry
  • Product code: SSC-077373
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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 17680-84-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

17680-84-1 / 5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Standard CAS: 17680-84-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17680-84-1
Multi CAS
No
Molecular Formula
C22H22O11
Molecular Weight
462.400000
Exact Mass
462.116212
SMILES
COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C22H22O11/c1-30-21-14(32-22-20(29)19(28)17(26)15(8-23)33-22)7-13-16(18(21)27)11(25)6-12(31-13)9-2-4-10(24)5-3-9/h2-7,15,17,19-20,22-24,26-29H,8H2,1H3/t15-,17-,19+,20-,22-/m1/s1
InChIKey
GCLAFEGUXXHIFT-IWLDQSELSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
6
Molar refractivity
112.2
TPSA
179.28

LogP / Solubility

WLOGP
0.06
MLOGP
0.08
XLogP3
0.8
Consensus LogP
0.31
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-5.5

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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