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CAS 1196074-43-7 4-aMino-2-Methoxy-5-nitroBenzonitrile molecular structure lightbox
CAS RN: 1196074-43-7

4-aMino-2-Methoxy-5-nitroBenzonitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260224 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-020157
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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: ≥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 1196074-43-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1196074-43-7 / 4-amino-2-methoxy-5-nitrobenzonitrile

4-amino-2-methoxy-5-nitrobenzonitrile | MFCD20040384 | 4-amino-2-methoxy-5-nitro-benzonitrile

Standard CAS: 1196074-43-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196074-43-7
Multi CAS
No
Molecular Formula
C8H7N3O3
Molecular Weight
193.160000
Exact Mass
193.048741
SMILES
COC1=CC(=C(C=C1C#N)[N+](=O)[O-])N
InChI
InChI=1S/C8H7N3O3/c1-14-8-3-6(10)7(11(12)13)2-5(8)4-9/h2-3H,10H2,1H3
InChIKey
MZSOAOZWWJQCHD-UHFFFAOYSA-N
Synonyms
4-amino-2-methoxy-5-nitrobenzonitrile MFCD20040384 4-amino-2-methoxy-5-nitro-benzonitrile SCHEMBL1511848 MZSOAOZWWJQCHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.78
TPSA
102.18

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.3
Consensus LogP
1.1
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-3.15

Drug-likeness / Medicinal Chemistry

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

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