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CAS 886-64-6 Z-BETA-ALA-NH2 molecular structure lightbox
CAS RN: 886-64-6

Z-BETA-ALA-NH2

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250330 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS886-64-6
  • Purity/Analytical Methods: >99.0%
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886-64-6 / benzyl N-(3-amino-3-oxopropyl)carbamate

Standard CAS: 886-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886-64-6
Multi CAS
No
Molecular Formula
C11H14N2O3
Molecular Weight
222.240000
Exact Mass
222.100442
InChI
InChI=1S/C11H14N2O3/c12-10(14)6-7-13-11(15)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,14)(H,13,15)
InChIKey
JSVDOBZAAAJMBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.44
TPSA
81.42

LogP / Solubility

WLOGP
0.79
MLOGP
0.7
XLogP3
0.3
Consensus LogP
0.6
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

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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