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CAS 124529-64-2 N-[N’-(tert-butyloxycarbonyl)-6-aminohexyl]maleimide molecular structure lightbox
CAS RN: 124529-64-2

N-[N’-(tert-butyloxycarbonyl)-6-aminohexyl]maleimide

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251216 100mg In stock Shanghai Inquiry
Batchno.20250708 1g Out of stock 15 business days Inquiry
Batchno.20250618 1g In stock Shanghai Inquiry
Batchno.20250615 250mg In stock Shanghai Inquiry
Batchno.20250216 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS124529-64-2
  • Purity/Analytical Methods: >99.0%
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124529-64-2 / tert-butyl N-[6-(2,5-dioxopyrrol-1-yl)hexyl]carbamate

Standard CAS: 124529-64-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124529-64-2
Multi CAS
No
Molecular Formula
C15H24N2O4
Molecular Weight
296.360000
Exact Mass
296.173607
SMILES
CC(C)(C)OC(=O)NCCCCCCN1C(=O)C=CC1=O
InChI
InChI=1S/C15H24N2O4/c1-15(2,3)21-14(20)16-10-6-4-5-7-11-17-12(18)8-9-13(17)19/h8-9H,4-7,10-11H2,1-3H3,(H,16,20)
InChIKey
HITIWLKYYJATIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.67
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.56
TPSA
75.71

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
1.6
Consensus LogP
1.79
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

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
2.5

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