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CAS 223572-88-1 Bis[4-[4-[4-(Acryloyloxy)Butoxycarbonyloxy]Benzoyloxy]Benzoic Acid](1R,4S,5R,8R)-2,6-Dioxabicyclo[3.3.0]Octane-4,8-Diyl Ester molecular structure lightbox
CAS RN: 223572-88-1

Bis[4-[4-[4-(Acryloyloxy)Butoxycarbonyloxy]Benzoyloxy]Benzoic Acid](1R,4S,5R,8R)-2,6-Dioxabicyclo[3.3.0]Octane-4,8-Diyl Ester

Product Availability

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5 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250625 1g In stock Inquiry
Batchno.20260428 250mg In stock Inquiry
Batchno.20250725 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260331 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250512 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-109023
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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: ≥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 223572-88-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

223572-88-1 / [6-[4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoate

Standard CAS: 223572-88-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
223572-88-1
Multi CAS
No
Molecular Formula
C50H46O20
Molecular Weight
966.900000
Exact Mass
966.258244
SMILES
C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3COC4C3OCC4OC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)OC(=O)OCCCCOC(=O)C=C
InChI
InChI=1S/C50H46O20/c1-3-41(51)59-25-5-7-27-61-49(57)67-37-21-13-31(14-22-37)45(53)65-35-17-9-33(10-18-35)47(55)69-39-29-63-44-40(30-64-43(39)44)70-48(56)34-11-19-36(20-12-34)66-46(54)32-15-23-38(24-16-32)68-50(58)62-28-8-6-26-60-42(52)4-2/h3-4,9-24,39-40,43-44H,1-2,5-8,25-30H2
InChIKey
CSNCPNFITVRIBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
70
Aromatic heavy atom count
24
Fraction Csp3
0.28
Rotatable bonds
22
H-bond acceptors
20
Molar refractivity
238.3
TPSA
247.32

LogP / Solubility

WLOGP
6.72
MLOGP
6.01
XLogP3
8.4
Consensus LogP
7.04
Log S (ESOL)
-8.87
Class (ESOL)
Insoluble
Log S (Ali)
-12.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.17
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)
-3.84

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
7.5

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