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CAS 268204-00-8 Sildenafil Impurity 12 molecular structure lightbox
CAS RN: 268204-00-8

Sildenafil Impurity 12

  • Product code: SSC-125098
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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: ≥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 268204-00-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

268204-00-8 / 4-amino-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

Standard CAS: 268204-00-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
268204-00-8
Multi CAS
No
Molecular Formula
C9H16N4O
Molecular Weight
196.250000
Exact Mass
196.132411
SMILES
CC(C)CC1=NN(C(=C1N)C(=O)N)C
InChI
InChI=1S/C9H16N4O/c1-5(2)4-6-7(10)8(9(11)14)13(3)12-6/h5H,4,10H2,1-3H3,(H2,11,14)
InChIKey
UJHDMDWBKLTXKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.68
TPSA
86.93

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.9
Consensus LogP
0.49
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.39
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)
-3.7

Drug-likeness / Medicinal Chemistry

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

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