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CAS 24365-47-7 LEUPEPTIN molecular structure lightbox
CAS RN: 24365-47-7

LEUPEPTIN

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251017 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS24365-47-7
  • Purity/Analytical Methods: >99.0%
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24365-47-7 / 2-acetamido-N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide

Standard CAS: 24365-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24365-47-7
Multi CAS
No
Molecular Formula
C20H38N6O4
Molecular Weight
426.600000
Exact Mass
426.295454
SMILES
CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C
InChI
InChI=1S/C20H38N6O4/c1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22/h11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23)
InChIKey
GDBQQVLCIARPGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.75
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
5
Molar refractivity
116.35
TPSA
168.77

LogP / Solubility

WLOGP
-0.19
MLOGP
-0.14
XLogP3
0.4
Consensus LogP
0.02
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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