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CAS 46228-51-7 N-(3-METHOXY-BENZYL)-GUANIDINE molecular structure lightbox
CAS RN: 46228-51-7

N-(3-METHOXY-BENZYL)-GUANIDINE

  • Product code: SSC-153764
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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 46228-51-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

46228-51-7 / 2-[(3-methoxyphenyl)methyl]guanidine

Standard CAS: 46228-51-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
46228-51-7
Multi CAS
No
Molecular Formula
C9H13N3O
Molecular Weight
179.220000
Exact Mass
179.105862
InChI
InChI=1S/C9H13N3O/c1-13-8-4-2-3-7(5-8)6-12-9(10)11/h2-5H,6H2,1H3,(H4,10,11,12)
InChIKey
VTNFFQZOYSMLIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.51
TPSA
73.63

LogP / Solubility

WLOGP
0.47
MLOGP
0.41
XLogP3
0.5
Consensus LogP
0.46
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48

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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