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CAS 219677-82-4 Lisinopril R,S,S-Diketopiperazine molecular structure lightbox
CAS RN: 219677-82-4

Lisinopril R,S,S-Diketopiperazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250914 5mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS219677-82-4
  • Purity/Analytical Methods: >99.0%
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219677-82-4 / (2S)-2-[(3S,8aR)-3-(4-aminobutyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-4-phenylbutanoic acid

Standard CAS: 219677-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219677-82-4
Multi CAS
No
Molecular Formula
C21H29N3O4
Molecular Weight
387.500000
Exact Mass
387.215806
SMILES
C1C[C@@H]2C(=O)N([C@H](C(=O)N2C1)CCCCN)[C@@H](CCC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C21H29N3O4/c22-13-5-4-9-17-19(25)23-14-6-10-16(23)20(26)24(17)18(21(27)28)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14,22H2,(H,27,28)/t16-,17+,18+/m1/s1
InChIKey
FUEMHWCBWYXAOU-SQNIBIBYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
104.46
TPSA
103.94

LogP / Solubility

WLOGP
1.4
MLOGP
1.26
XLogP3
-0.6
Consensus LogP
0.69
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.09

Drug-likeness / Medicinal Chemistry

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

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