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CAS 958245-18-6 3-methoxy-4-(4-methylimidazole)benzenamine molecular structure lightbox
CAS RN: 958245-18-6

3-methoxy-4-(4-methylimidazole)benzenamine

  • Product code: SSC-211478
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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 958245-18-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

958245-18-6 / 3-methoxy-4-(4-methylimidazol-1-yl)aniline

Standard CAS: 958245-18-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
958245-18-6
Multi CAS
No
Molecular Formula
C11H13N3O
Molecular Weight
203.240000
Exact Mass
203.105862
InChI
InChI=1S/C11H13N3O/c1-8-6-14(7-13-8)10-4-3-9(12)5-11(10)15-2/h3-7H,12H2,1-2H3
InChIKey
JLIBQHGPJWSTQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.27
TPSA
53.07

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
1.4
Consensus LogP
1.58
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

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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