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CAS 38941-29-6 4,5-dihydro-N-[(2-methylphenyl)methyl]-1H-Imidazol-2-amine molecular structure lightbox
CAS RN: 38941-29-6

4,5-dihydro-N-[(2-methylphenyl)methyl]-1H-Imidazol-2-amine

  • Product code: SSC-146543
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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: ≥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 38941-29-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

38941-29-6 / N-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine

Standard CAS: 38941-29-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38941-29-6
Multi CAS
No
Molecular Formula
C11H15N3
Molecular Weight
189.260000
Exact Mass
189.126597
InChI
InChI=1S/C11H15N3/c1-9-4-2-3-5-10(9)8-14-11-12-6-7-13-11/h2-5H,6-8H2,1H3,(H2,12,13,14)
InChIKey
IFRIBOQFELMEFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.32
TPSA
36.42

LogP / Solubility

WLOGP
1.04
MLOGP
0.92
XLogP3
0.9
Consensus LogP
0.95
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-3.13

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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