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CAS 1231709-25-3 (R)-alpha-Methylaspartic acid-4-tert-butyl ester, 98% ee molecular structure lightbox
CAS RN: 1231709-25-3

(R)-alpha-Methylaspartic acid-4-tert-butyl ester, 98% ee

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1231709-25-3
  • Purity/Analytical Methods: >99.0%
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1231709-25-3 / (2R)-2-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

Standard CAS: 1231709-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1231709-25-3
Multi CAS
No
Molecular Formula
C9H17NO4
Molecular Weight
203.240000
Exact Mass
203.115758
SMILES
C[C@@](CC(=O)OC(C)(C)C)(C(=O)O)N
InChI
InChI=1S/C9H17NO4/c1-8(2,3)14-6(11)5-9(4,10)7(12)13/h5,10H2,1-4H3,(H,12,13)/t9-/m1/s1
InChIKey
VIQZVYPYYUPDQY-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.69
TPSA
89.62

LogP / Solubility

WLOGP
0.52
MLOGP
0.46
XLogP3
-2.4
Consensus LogP
-0.47
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

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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