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CAS 66880-55-5 N-α-Boc-N-ε-isopropyl-L-lysine molecular structure lightbox
CAS RN: 66880-55-5

N-α-Boc-N-ε-isopropyl-L-lysine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250412 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS66880-55-5
  • Purity/Analytical Methods: >99.0%
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66880-55-5 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(propan-2-ylamino)hexanoic acid

Standard CAS: 66880-55-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66880-55-5
Multi CAS
Yes
Molecular Formula
C14H28N2O4
Molecular Weight
288.380000
Exact Mass
288.204907
InChI
InChI=1S/C14H28N2O4/c1-10(2)15-9-7-6-8-11(12(17)18)16-13(19)20-14(3,4)5/h10-11,15H,6-9H2,1-5H3,(H,16,19)(H,17,18)
InChIKey
JJPXNZZCOCUYDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
77.78
TPSA
87.66

LogP / Solubility

WLOGP
2.13
MLOGP
1.89
XLogP3
-0.3
Consensus LogP
1.24
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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