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CAS 2225-05-0 1,2-bis-(4-carboxy-benzoyloxy)-ethane molecular structure lightbox
CAS RN: 2225-05-0

1,2-bis-(4-carboxy-benzoyloxy)-ethane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-107120
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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 2225-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2225-05-0 / 4-[2-(4-carboxybenzoyl)oxyethoxycarbonyl]benzoic acid

Standard CAS: 2225-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2225-05-0
Multi CAS
No
Molecular Formula
C18H14O8
Molecular Weight
358.300000
Exact Mass
358.068867
SMILES
C1=CC(=CC=C1C(=O)O)C(=O)OCCOC(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C18H14O8/c19-15(20)11-1-5-13(6-2-11)17(23)25-9-10-26-18(24)14-7-3-12(4-8-14)16(21)22/h1-8H,9-10H2,(H,19,20)(H,21,22)
InChIKey
WFBOYZZQPYDMKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
87.37
TPSA
127.2

LogP / Solubility

WLOGP
2.1
MLOGP
1.86
XLogP3
2.4
Consensus LogP
2.12
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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