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CAS 1356929-59-3 PERINDOPRIL-D4 T-BUTYLAMINE SALT molecular structure lightbox
CAS RN: 1356929-59-3

PERINDOPRIL-D4 T-BUTYLAMINE SALT

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250527 1mg / 10mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1356929-59-3
  • Purity/Analytical Methods: >99.0%
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1356929-59-3 / (2S,3aS,7aS)-1-[(2S)-2,3,3,3-tetradeuterio-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;2-methylpropan-2-amine

Standard CAS: 1356929-59-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1356929-59-3
Multi CAS
No
Molecular Formula
C23H43N3O5
Molecular Weight
445.600000
Exact Mass
445.345378
SMILES
[2H][C@@](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)(C([2H])([2H])[2H])N[C@@H](CCC)C(=O)OCC.CC(C)(C)N
InChI
InChI=1S/C19H32N2O5.C4H11N/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24;1-4(2,3)5/h12-16,20H,4-11H2,1-3H3,(H,23,24);5H2,1-3H3/t12-,13-,14-,15-,16-;/m0./s1/i3D3,12D;
InChIKey
IYNMDWMQHSMDDE-LJPFWORXSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.87
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
3
Molar refractivity
120.5
TPSA
121.96

LogP / Solubility

WLOGP
2.68
MLOGP
2.39
XLogP3
2.68
Consensus LogP
2.58
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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