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CAS 886362-37-4 ETHYL 3-(1-BOC-PIPERIDINE-4-YL)-DL-BETA-ALANINATE molecular structure lightbox
CAS RN: 886362-37-4

ETHYL 3-(1-BOC-PIPERIDINE-4-YL)-DL-BETA-ALANINATE

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251019 1g Out of stock Inquiry
Batchno.20260330 250mg In stock Inquiry
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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260427 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS886362-37-4
  • Purity/Analytical Methods: >99.0%
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886362-37-4 / tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

Standard CAS: 886362-37-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
886362-37-4
Multi CAS
Yes
Molecular Formula
C15H28N2O4
Molecular Weight
300.390000
Exact Mass
300.204907
InChI
InChI=1S/C15H28N2O4/c1-5-20-13(18)10-12(16)11-6-8-17(9-7-11)14(19)21-15(2,3)4/h11-12H,5-10,16H2,1-4H3
InChIKey
LIWIVVWMLYSOFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.87
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
79.76
TPSA
81.86

LogP / Solubility

WLOGP
1.91
MLOGP
1.7
XLogP3
1.2
Consensus LogP
1.6
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly 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)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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