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CAS 1276197-56-8 N-ACETYL-D3-L-LEUCINE-D10-N-METHYL-D3-AMIDE molecular structure lightbox
CAS RN: 1276197-56-8

N-ACETYL-D3-L-LEUCINE-D10-N-METHYL-D3-AMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260125 50mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1276197-56-8
  • Purity/Analytical Methods: >99.0%
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1276197-56-8 / (2S)-2,3,3,4,5,5,5-heptadeuterio-2-[(2,2,2-trideuterioacetyl)amino]-N,4-bis(trideuteriomethyl)pentanamide

Standard CAS: 1276197-56-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1276197-56-8
Multi CAS
No
Molecular Formula
C9H18N2O2
Molecular Weight
202.350000
Exact Mass
202.237256
SMILES
[2H][C@@](C(=O)NC([2H])([2H])[2H])(C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])NC(=O)C([2H])([2H])[2H]
InChI
InChI=1S/C9H18N2O2/c1-6(2)5-8(9(13)10-4)11-7(3)12/h6,8H,5H2,1-4H3,(H,10,13)(H,11,12)/t8-/m0/s1/i1D3,2D3,3D3,4D3,5D2,6D,8D
InChIKey
GFQFFCFJVLJXRY-QHJGUKJLSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.13
TPSA
58.2

LogP / Solubility

WLOGP
0.28
MLOGP
0.25
XLogP3
0.1
Consensus LogP
0.21
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
Class (SILICOS-IT)
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)
-3.66

Drug-likeness / Medicinal Chemistry

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

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