CAS RN: 129970-99-6
Perindoprilat LactaM A
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260526 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS129970-99-6
- Purity/Analytical Methods: >99.0%
129970-99-6 / (2S)-2-[(3S,5aS,9aS,10aS)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3H-pyrazino[1,2-a]indol-2-yl]pentanoic acid
Basic Information
CAS
129970-99-6
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-PEDHHIEDSA-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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