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CAS 943528-71-0 (R)-N-(3-((2-Aminoethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide molecular structure lightbox
CAS RN: 943528-71-0

(R)-N-(3-((2-Aminoethyl)amino)-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS943528-71-0
  • Purity/Analytical Methods: >99.0%
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943528-71-0 / (2R)-N-[3-(2-aminoethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

Standard CAS: 943528-71-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
943528-71-0
Multi CAS
Yes
Molecular Formula
C11H23N3O4
Molecular Weight
261.320000
Exact Mass
261.168856
InChI
InChI=1S/C11H23N3O4/c1-11(2,7-15)9(17)10(18)14-5-3-8(16)13-6-4-12/h9,15,17H,3-7,12H2,1-2H3,(H,13,16)(H,14,18)/t9-/m0/s1
InChIKey
KEMMDXICCGPQBQ-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.82
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
5
Molar refractivity
66.56
TPSA
124.68

LogP / Solubility

WLOGP
-2.05
MLOGP
-1.8
XLogP3
-2.3
Consensus LogP
-2.05
Log S (ESOL)
0.36
Class (ESOL)
Highly soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-5.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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