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CAS 43135-06-4 Methyl N-acetyl-2-methylalaninate molecular structure lightbox
CAS RN: 43135-06-4

Methyl N-acetyl-2-methylalaninate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS43135-06-4
  • Purity/Analytical Methods: >99.0%
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43135-06-4 / methyl 2-acetamido-2-methylpropanoate

Standard CAS: 43135-06-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
43135-06-4
Multi CAS
No
Molecular Formula
C7H13NO3
Molecular Weight
159.180000
Exact Mass
159.089543
InChI
InChI=1S/C7H13NO3/c1-5(9)8-7(2,3)6(10)11-4/h1-4H3,(H,8,9)
InChIKey
JPQDXOCZVZPRTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.91
TPSA
55.4

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
0.1
Consensus LogP
0.08
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
Very 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)
-3.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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