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CAS 2770-49-2 1,4-Phenylene Bis(1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylate) molecular structure lightbox
CAS RN: 2770-49-2

1,4-Phenylene Bis(1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylate)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250416 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai, Guangdong Inquiry
  • Product code: SSC-127956
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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: ≥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 2770-49-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

2770-49-2 / [4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl] 1,3-dioxo-2-benzofuran-5-carboxylate

Standard CAS: 2770-49-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2770-49-2
Multi CAS
No
Molecular Formula
C24H10O10
Molecular Weight
458.300000
Exact Mass
458.027397
InChI
InChI=1S/C24H10O10/c25-19(11-1-7-15-17(9-11)23(29)33-21(15)27)31-13-3-5-14(6-4-13)32-20(26)12-2-8-16-18(10-12)24(30)34-22(16)28/h1-10H
InChIKey
CXISKMDTEFIGTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
10
Molar refractivity
108.74
TPSA
139.34

LogP / Solubility

WLOGP
2.75
MLOGP
2.45
XLogP3
3.5
Consensus LogP
2.9
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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