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CAS 212322-56-0 Ethyl 3-[3-Amino-4-(methylamino)-N-(2-pyridyl)benzamido]propionate molecular structure lightbox
CAS RN: 212322-56-0

Ethyl 3-[3-Amino-4-(methylamino)-N-(2-pyridyl)benzamido]propionate

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251116 10g In stock Shanghai Inquiry
Batchno.20260409 1kg Out of stock Inquiry
Batchno.20250801 25g In stock Shenzhen, Chengdu Inquiry
Batchno.20260612 500g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260413 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-101429
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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: 100g
  • 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 212322-56-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

212322-56-0 / ethyl 3-[[3-amino-4-(methylamino)benzoyl]-pyridin-2-ylamino]propanoate

Standard CAS: 212322-56-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212322-56-0
Multi CAS
No
Molecular Formula
C18H22N4O3
Molecular Weight
342.400000
Exact Mass
342.169191
SMILES
CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC(=C(C=C2)NC)N
InChI
InChI=1S/C18H22N4O3/c1-3-25-17(23)9-11-22(16-6-4-5-10-21-16)18(24)13-7-8-15(20-2)14(19)12-13/h4-8,10,12,20H,3,9,11,19H2,1-2H3
InChIKey
PCPATNZTKBOKOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
97.56
TPSA
97.55

LogP / Solubility

WLOGP
2.31
MLOGP
2.05
XLogP3
1.7
Consensus LogP
2.02
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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)
-3.17

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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