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CAS 811862-77-8 BIS(3 5 3′ 5′-DIMETHOXYDIBENZYLIDENEACE& molecular structure lightbox
CAS RN: 811862-77-8

BIS(3 5 3′ 5′-DIMETHOXYDIBENZYLIDENEACE&

Product Availability

Choose a grade to view its available package options.

7 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250516 1g In stock Inquiry
Batchno.20250307 25g Out of stock Inquiry
Batchno.20250516 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250820 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251017 1g Out of stock Inquiry
Batchno.20260101 250mg In stock Shanghai Inquiry
Batchno.20250529 5g In stock Shanghai Inquiry
  • Product code: SSC-189736
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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: 5g
  • Available purity: ＞97%
  • 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 811862-77-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

811862-77-8 / bis((1E,4E)-1,5-bis(3,5-dimethoxyphenyl)penta-1,4-dien-3-one);palladium

Standard CAS: 811862-77-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
811862-77-8
Multi CAS
Yes
Molecular Formula
C42H44O10PD
Molecular Weight
815.200000
Exact Mass
814.196930
InChI
InChI=1S/2C21H22O5.Pd/c2*1-23-18-9-15(10-19(13-18)24-2)5-7-17(22)8-6-16-11-20(25-3)14-21(12-16)26-4;/h2*5-14H,1-4H3;/b2*7-5+,8-6+;
InChIKey
RTGAJOPJZJDWAX-XVGSOSPHSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
24
Fraction Csp3
0.19
Rotatable bonds
16
H-bond acceptors
10
Molar refractivity
204.33
TPSA
107.98

LogP / Solubility

WLOGP
8.03
MLOGP
7.14
XLogP3
8.03
Consensus LogP
7.73
Log S (ESOL)
-9.23
Class (ESOL)
Insoluble
Log S (Ali)
-12.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.99

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
4.5

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