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CAS 850606-12-1 2-amino-n-(1,2,3,4-tetrahydro-naphthalen-1-yl)-acetamide molecular structure lightbox
CAS RN: 850606-12-1

2-amino-n-(1,2,3,4-tetrahydro-naphthalen-1-yl)-acetamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260430 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS850606-12-1
  • Purity/Analytical Methods: >99.0%
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850606-12-1 / 2-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

Standard CAS: 850606-12-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850606-12-1
Multi CAS
No
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
InChI
InChI=1S/C12H16N2O/c13-8-12(15)14-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8,13H2,(H,14,15)
InChIKey
VWRYNRSSLOECQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
59.32
TPSA
55.12

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
1.4
Consensus LogP
1.18
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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