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CAS 6157-06-8 H-ASP-GLU-OH molecular structure lightbox
CAS RN: 6157-06-8

H-ASP-GLU-OH

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250128 100mg In stock Shanghai, Shandong Inquiry
Batchno.20250305 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS6157-06-8
  • Purity/Analytical Methods: >99.0%
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6157-06-8 / (2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]pentanedioic acid

Standard CAS: 6157-06-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6157-06-8
Multi CAS
Yes
Molecular Formula
C9H14N2O7
Molecular Weight
262.220000
Exact Mass
262.080101
InChI
InChI=1S/C9H14N2O7/c10-4(3-7(14)15)8(16)11-5(9(17)18)1-2-6(12)13/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)/t4-,5-/m0/s1
InChIKey
CKAJHWFHHFSCDT-WHFBIAKZSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.56
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
5
Molar refractivity
56.66
TPSA
167.02

LogP / Solubility

WLOGP
-1.78
MLOGP
-1.56
XLogP3
-4.6
Consensus LogP
-2.65
Log S (ESOL)
0.18
Class (ESOL)
Highly soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
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)
-5.58

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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