CAS RN: 675602-62-7

N-(4-PIPERIDONE)GLUTARAMIC ACID

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Batchno.20260320 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS675602-62-7
  • Purity/Analytical Methods: >99.0%
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675602-62-7 / 5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid

Standard CAS: 675602-62-7 Multi CAS: No

Basic Information

CAS
675602-62-7
Multi CAS
No
Molecular Formula
C10H15NO4
Molecular Weight
213.230000
Exact Mass
213.100108
InChI
InChI=1S/C10H15NO4/c12-8-4-6-11(7-5-8)9(13)2-1-3-10(14)15/h1-7H2,(H,14,15)
InChIKey
BQPYFNZTQRPFCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.7
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.31
TPSA
74.68

LogP / Solubility

WLOGP
0.43
MLOGP
0.38
XLogP3
-1
Consensus LogP
-0.06
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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