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CAS 299969-20-3 Biphenyl-4-carboxylic acid 2,5-dioxo-pyrrolidin-1-yl ester molecular structure lightbox
CAS RN: 299969-20-3

Biphenyl-4-carboxylic acid 2,5-dioxo-pyrrolidin-1-yl ester

  • Product code: SSC-133548
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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 299969-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

299969-20-3 / (2,5-dioxopyrrolidin-1-yl) 4-phenylbenzoate

Standard CAS: 299969-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
299969-20-3
Multi CAS
No
Molecular Formula
C17H13NO4
Molecular Weight
295.290000
Exact Mass
295.084458
InChI
InChI=1S/C17H13NO4/c19-15-10-11-16(20)18(15)22-17(21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey
WPFNLWKQMSNEHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
78.38
TPSA
63.68

LogP / Solubility

WLOGP
2.57
MLOGP
2.28
XLogP3
2.5
Consensus LogP
2.45
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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