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CAS 66447-31-2 H-LEU-AMC molecular structure lightbox
CAS RN: 66447-31-2

H-LEU-AMC

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260321 100mg / 250mg / 1g Confirm by inquiry Shanghai, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250727 250mg Out of stock Inquiry
Batchno.20251101 50mg Out of stock Inquiry
  • Product code: starshine_CAS66447-31-2
  • Purity/Analytical Methods: >99.0%
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66447-31-2 / (2S)-2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide

Standard CAS: 66447-31-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66447-31-2
Multi CAS
Yes
Molecular Formula
C16H20N2O3
Molecular Weight
288.340000
Exact Mass
288.147393
InChI
InChI=1S/C16H20N2O3/c1-9(2)6-13(17)16(20)18-11-4-5-12-10(3)7-15(19)21-14(12)8-11/h4-5,7-9,13H,6,17H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKey
GTAAIHRZANUVJS-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.28
TPSA
85.33

LogP / Solubility

WLOGP
2.41
MLOGP
2.13
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

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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