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CAS 277319-62-7 4-AMINO-BENZAMIDE OXIME molecular structure lightbox
CAS RN: 277319-62-7

4-AMINO-BENZAMIDE OXIME

  • Product code: SSC-128068
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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: 5g
  • 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 277319-62-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

277319-62-7 / 4-amino-N'-hydroxybenzenecarboximidamide

Standard CAS: 277319-62-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
277319-62-7
Multi CAS
No
Molecular Formula
C7H9N3O
Molecular Weight
151.170000
Exact Mass
151.074562
SMILES
C1=CC(=CC=C1C(=NO)N)N
InChI
InChI=1S/C7H9N3O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,8H2,(H2,9,10)
InChIKey
CNFNMMJKXWOLPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.37
TPSA
84.63

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
0.4
Consensus LogP
0.36
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
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)
-3.38

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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