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CAS 66778-17-4 Esculin Sesquihydrate molecular structure lightbox
CAS RN: 66778-17-4

Esculin Sesquihydrate

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250114 100g In stock Inquiry
Batchno.20250607 1g In stock Inquiry
Batchno.20250719 25g In stock Inquiry
Batchno.20260203 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250129 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei 1 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250808 5g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-176430
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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: 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 66778-17-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g 95%+ 0 Out of Stock Hong Kong Inquiry

66778-17-4 / bis(7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one);trihydrate

Standard CAS: 66778-17-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66778-17-4
Multi CAS
Yes
Molecular Formula
C30H38O21
Molecular Weight
734.600000
Exact Mass
734.190558
InChI
InChI=1S/2C15H16O9.3H2O/c2*16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;;;/h2*1-4,10,12-17,19-21H,5H2;3*1H2/t2*10-,12-,13+,14-,15-;;;/m11.../s1
InChIKey
LGMHQDJZWHRZPO-HPPUHPNBSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
20
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
18
H-bond donors
10
Molar refractivity
167.93
TPSA
394.14

LogP / Solubility

WLOGP
-5.12
MLOGP
-4.44
XLogP3
-5.12
Consensus LogP
-4.89
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-10.84

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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