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CAS 21018-84-8 Amarogentin molecular structure lightbox
CAS RN: 21018-84-8

Amarogentin

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260527 100mg In stock Shanghai Inquiry
Batchno.20251222 10mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batchno.20250710 1g In stock Shanghai Inquiry
Batchno.20250301 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20260617 250mg In stock Shanghai Inquiry
Batchno.20250318 50mg In stock Shanghai Inquiry
Batchno.20250802 5g In stock Shanghai Inquiry
Batchno.20260128 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250123 100mg In stock Inquiry
Batchno.20260402 10mg In stock Inquiry
Batchno.20250111 50mg In stock Inquiry
  • Product code: SSC-099978
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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 21018-84-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

21018-84-8 / [(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate

Standard CAS: 21018-84-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21018-84-8
Multi CAS
No
Molecular Formula
C29H30O13
Molecular Weight
586.500000
Exact Mass
586.168641
SMILES
C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O
InChI
InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1
InChIKey
DBOVHQOUSDWAPQ-WTONXPSSSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
13
H-bond donors
6
Molar refractivity
140.63
TPSA
201.67

LogP / Solubility

WLOGP
1.06
MLOGP
0.98
XLogP3
2.4
Consensus LogP
1.48
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly 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)
-5.55

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
9

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