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CAS 102791-92-4 1-(3-Methyl-4-nitrophenyl)-1H-imidazole molecular structure lightbox
CAS RN: 102791-92-4

1-(3-Methyl-4-nitrophenyl)-1H-imidazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-004144
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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 102791-92-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

102791-92-4 / 1-(3-methyl-4-nitrophenyl)imidazole

1-(3-Methyl-4-nitrophenyl)-1H-imidazole | MFCD11870465 | 1-(3-methyl-4-nitrophenyl)imidazole

Standard CAS: 102791-92-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102791-92-4
Multi CAS
No
Molecular Formula
C10H9N3O2
Molecular Weight
203.200000
Exact Mass
203.069477
SMILES
CC1=C(C=CC(=C1)N2C=CN=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O2/c1-8-6-9(12-5-4-11-7-12)2-3-10(8)13(14)15/h2-7H,1H3
InChIKey
HYTUDPOPONCSCM-UHFFFAOYSA-N
Synonyms
1-(3-Methyl-4-nitrophenyl)-1H-imidazole MFCD11870465 1-(3-methyl-4-nitrophenyl)imidazole 1H-Imidazole, 1-(3-methyl-4-nitrophenyl)- SCHEMBL1839319

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
54.96
TPSA
60.96

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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