CAS RN: 1356905-39-9

(S)Lisinopril-D5

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Batchno.20260623 1mg / 10mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1356905-39-9
  • Purity/Analytical Methods: >99.0%
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1356905-39-9 / (2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-(2,3,4,5,6-pentadeuteriophenyl)propyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

Standard CAS: 1356905-39-9 Multi CAS: No

Basic Information

CAS
1356905-39-9
Multi CAS
No
Molecular Formula
C21H31N3O5
Molecular Weight
410.500000
Exact Mass
410.257755
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O)[2H])[2H]
InChI
InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1/i1D,2D,3D,7D,8D
InChIKey
RLAWWYSOJDYHDC-MMUMHYRKSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
4
Molar refractivity
108.39
TPSA
132.96

LogP / Solubility

WLOGP
1.24
MLOGP
1.11
XLogP3
-2.9
Consensus LogP
-0.18
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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