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CAS 1270451-79-0 2-amino-2-methyl-3-(2-naphthyl)propanoic acid molecular structure lightbox
CAS RN: 1270451-79-0

2-amino-2-methyl-3-(2-naphthyl)propanoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260630 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1270451-79-0
  • Purity/Analytical Methods: >99.0%
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1270451-79-0 / 2-amino-2-methyl-3-naphthalen-2-ylpropanoic acid

Standard CAS: 1270451-79-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1270451-79-0
Multi CAS
No
Molecular Formula
C14H15NO2
Molecular Weight
229.270000
Exact Mass
229.110279
SMILES
CC(CC1=CC2=CC=CC=C2C=C1)(C(=O)O)N
InChI
InChI=1S/C14H15NO2/c1-14(15,13(16)17)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9,15H2,1H3,(H,16,17)
InChIKey
KHIAMTDWCDARAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.88
TPSA
63.32

LogP / Solubility

WLOGP
2.18
MLOGP
1.93
Consensus LogP
1.37
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

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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