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CAS 871673-24-4 3-AMINO-N-CYCLOPROPYLBENZAMIDE molecular structure lightbox
CAS RN: 871673-24-4

3-AMINO-N-CYCLOPROPYLBENZAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS871673-24-4
  • Purity/Analytical Methods: >99.0%
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871673-24-4 / 3-amino-N-cyclopropylbenzamide

Standard CAS: 871673-24-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
871673-24-4
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
InChI
InChI=1S/C10H12N2O/c11-8-3-1-2-7(6-8)10(13)12-9-4-5-9/h1-3,6,9H,4-5,11H2,(H,12,13)
InChIKey
XTQFXSVIFJUEAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.34
TPSA
55.12

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
0.4
Consensus LogP
0.86
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.97

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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