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CAS 112522-64-2 Acetyldinaline molecular structure lightbox
CAS RN: 112522-64-2

Acetyldinaline

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250709 10mg In stock Inquiry
Batchno.20260208 250mg Out of stock Inquiry
Batchno.20260626 50mg In stock Inquiry
  • Product code: SSC-012912
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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: ≥98%
  • 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 112522-64-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

112522-64-2 / 4-acetamido-N-(2-aminophenyl)benzamide

Tacedinaline | ci-994 | 4-acetamido-N-(2-aminophenyl)benzamide

Standard CAS: 112522-64-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112522-64-2
Multi CAS
Yes
Molecular Formula
C15H15N3O2
Molecular Weight
269.300000
Exact Mass
269.116427
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N
InChI
InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChIKey
VAZAPHZUAVEOMC-UHFFFAOYSA-N
Synonyms
Tacedinaline ci-994 4-acetamido-N-(2-aminophenyl)benzamide CI 994 Tacedinalina

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
79.55
TPSA
84.22

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
1.3
Consensus LogP
1.99
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly 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)
-2.6

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
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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