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CAS 52033-70-2 2-NITRO-5-(PHENYLACETYLAMINO)-BENZOIC ACID molecular structure lightbox
CAS RN: 52033-70-2

2-NITRO-5-(PHENYLACETYLAMINO)-BENZOIC ACID

  • Product code: SSC-159098
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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 52033-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

52033-70-2 / 2-nitro-5-[(2-phenylacetyl)amino]benzoic acid

Standard CAS: 52033-70-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52033-70-2
Multi CAS
Yes
Molecular Formula
C15H12N2O5
Molecular Weight
300.270000
Exact Mass
300.074621
InChI
InChI=1S/C15H12N2O5/c18-14(8-10-4-2-1-3-5-10)16-11-6-7-13(17(21)22)12(9-11)15(19)20/h1-7,9H,8H2,(H,16,18)(H,19,20)
InChIKey
QHVQEQRGDKOHHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
78.83
TPSA
109.54

LogP / Solubility

WLOGP
2.47
MLOGP
2.19
XLogP3
2.3
Consensus LogP
2.32
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

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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