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CAS 133628-73-6 H-ASP(AMC)-OH molecular structure lightbox
CAS RN: 133628-73-6

H-ASP(AMC)-OH

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250906 50mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS133628-73-6
  • Purity/Analytical Methods: >99.0%
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133628-73-6 / (2S)-2-amino-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid

Standard CAS: 133628-73-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133628-73-6
Multi CAS
No
Molecular Formula
C14H14N2O5
Molecular Weight
290.270000
Exact Mass
290.090272
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C14H14N2O5/c1-7-4-13(18)21-11-5-8(2-3-9(7)11)16-12(17)6-10(15)14(19)20/h2-5,10H,6,15H2,1H3,(H,16,17)(H,19,20)/t10-/m0/s1
InChIKey
ARZPQBJTLVVDNP-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
76.08
TPSA
122.63

LogP / Solubility

WLOGP
0.84
MLOGP
0.75
XLogP3
-1.7
Consensus LogP
-0.04
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-3.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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