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CAS 130061-28-8 Perindoprilat LactaM B molecular structure lightbox
CAS RN: 130061-28-8

Perindoprilat LactaM B

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS130061-28-8
  • Purity/Analytical Methods: >99.0%
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130061-28-8 / (2S)-2-[(3S,5aS,9aS,10aR)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3H-pyrazino[1,2-a]indol-2-yl]pentanoic acid

Standard CAS: 130061-28-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130061-28-8
Multi CAS
No
Molecular Formula
C17H26N2O4
Molecular Weight
322.400000
Exact Mass
322.189257
SMILES
CCC[C@@H](C(=O)O)N1[C@H](C(=O)N2[C@H]3CCCC[C@H]3C[C@@H]2C1=O)C
InChI
InChI=1S/C17H26N2O4/c1-3-6-13(17(22)23)18-10(2)15(20)19-12-8-5-4-7-11(12)9-14(19)16(18)21/h10-14H,3-9H2,1-2H3,(H,22,23)/t10-,11-,12-,13-,14+/m0/s1
InChIKey
GBVXUKWRYVJUFG-HTVCTNPSSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.64
TPSA
77.92

LogP / Solubility

WLOGP
1.63
MLOGP
1.45
XLogP3
2.2
Consensus LogP
1.76
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

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