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CAS 86925-97-5 PROLYL ENDOPEPTIDASE INHIBITOR II molecular structure lightbox
CAS RN: 86925-97-5

PROLYL ENDOPEPTIDASE INHIBITOR II

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251209 1mg / 5mg / 10mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS86925-97-5
  • Purity/Analytical Methods: >99.0%
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86925-97-5 / tert-butyl (2S)-2-[(2S)-2-formylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate

Standard CAS: 86925-97-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86925-97-5
Multi CAS
Yes
Molecular Formula
C15H24N2O4
Molecular Weight
296.360000
Exact Mass
296.173607
InChI
InChI=1S/C15H24N2O4/c1-15(2,3)21-14(20)17-9-5-7-12(17)13(19)16-8-4-6-11(16)10-18/h10-12H,4-9H2,1-3H3/t11-,12-/m0/s1
InChIKey
CTCMMWKUMNGTPE-RYUDHWBXSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
76.76
TPSA
66.92

LogP / Solubility

WLOGP
1.58
MLOGP
1.4
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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