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CAS 21047-89-2 Propanamide, N-(6,7-dihydro-6-oxo-1H-purin-2-yl)-2-methyl- molecular structure lightbox
CAS RN: 21047-89-2

Propanamide, N-(6,7-dihydro-6-oxo-1H-purin-2-yl)-2-methyl-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250206 250mg / 1g / 10g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-100205
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 5g, 25g, 100g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 21047-89-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Beijing Inquiry
10g >98% 4 In Stock Shanghai Inquiry
5g >98% 2 In Stock Hong Kong Inquiry
25g >98% 2 In Stock Hong Kong Inquiry
100g >98% 0 Out of Stock Shenzhen Inquiry
500g >98% 0 Out of Stock Hong Kong Inquiry

21047-89-2 / 2-methyl-N-(6-oxo-1,7-dihydropurin-2-yl)propanamide

Standard CAS: 21047-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21047-89-2
Multi CAS
No
Molecular Formula
C9H11N5O2
Molecular Weight
221.220000
Exact Mass
221.091275
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)NC=N2
InChI
InChI=1S/C9H11N5O2/c1-4(2)7(15)13-9-12-6-5(8(16)14-9)10-3-11-6/h3-4H,1-2H3,(H3,10,11,12,13,14,15,16)
InChIKey
CFIBTBBTJWHPQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
57.98
TPSA
103.53

LogP / Solubility

WLOGP
0.24
MLOGP
0.21
XLogP3
0.2
Consensus LogP
0.22
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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