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CAS 1082156-54-4 N-(3-amino-4-methoxyphenyl)cyclopropanecarboxamide molecular structure lightbox
CAS RN: 1082156-54-4

N-(3-amino-4-methoxyphenyl)cyclopropanecarboxamide

  • Product code: SSC-009477
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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 1082156-54-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1082156-54-4 / N-(3-amino-4-methoxyphenyl)cyclopropanecarboxamide

N-(3-amino-4-methoxyphenyl)cyclopropanecarboxamide | MFCD11568378 | SCHEMBL22000031

Standard CAS: 1082156-54-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1082156-54-4
Multi CAS
No
Molecular Formula
C11H14N2O2
Molecular Weight
206.240000
Exact Mass
206.105528
SMILES
COC1=C(C=C(C=C1)NC(=O)C2CC2)N
InChI
InChI=1S/C11H14N2O2/c1-15-10-5-4-8(6-9(10)12)13-11(14)7-2-3-7/h4-7H,2-3,12H2,1H3,(H,13,14)
InChIKey
NQJUDLAPVSXXMM-UHFFFAOYSA-N
Synonyms
N-(3-amino-4-methoxyphenyl)cyclopropanecarboxamide MFCD11568378 SCHEMBL22000031 AC9488 BBL031989

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.76
TPSA
64.35

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
1
Consensus LogP
1.35
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
Class (SILICOS-IT)
Moderately 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)
-2.82

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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