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CAS 56523-61-6 (4S)-4-amino-4-[[(1S)-4-amino-1-carboxy-butyl]carbamoyl]butanoic acid molecular structure lightbox
CAS RN: 56523-61-6

(4S)-4-amino-4-[[(1S)-4-amino-1-carboxy-butyl]carbamoyl]butanoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS56523-61-6
  • Purity/Analytical Methods: >99.0%
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56523-61-6 / (4S)-4-amino-5-[[(1S)-4-amino-1-carboxybutyl]amino]-5-oxopentanoic acid

Standard CAS: 56523-61-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
56523-61-6
Multi CAS
Yes
Molecular Formula
C10H19N3O5
Molecular Weight
261.280000
Exact Mass
261.132471
InChI
InChI=1S/C10H19N3O5/c11-5-1-2-7(10(17)18)13-8(14)4-3-6(12)9(15)16/h6-7H,1-5,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6-,7-/m0/s1
InChIKey
BBAYFIRFVORJLJ-BQBZGAKWSA-N

Physical Properties

Melting Point
209 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.7
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
5
Molar refractivity
62.7
TPSA
155.74

LogP / Solubility

WLOGP
-1.51
MLOGP
-1.32
XLogP3
-7.5
Consensus LogP
-3.44
Log S (ESOL)
0.09
Class (ESOL)
Highly soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.18
Class (SILICOS-IT)
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)
-5.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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