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CAS 60111-76-4 BOC-D-LEU-OSU molecular structure lightbox
CAS RN: 60111-76-4

BOC-D-LEU-OSU

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250728 100mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS60111-76-4
  • Purity/Analytical Methods: >99.0%
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60111-76-4 / (2,5-dioxopyrrolidin-1-yl) 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Standard CAS: 60111-76-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60111-76-4
Multi CAS
Yes
Molecular Formula
C15H24N2O6
Molecular Weight
328.360000
Exact Mass
328.163436
InChI
InChI=1S/C15H24N2O6/c1-9(2)8-10(16-14(21)22-15(3,4)5)13(20)23-17-11(18)6-7-12(17)19/h9-10H,6-8H2,1-5H3,(H,16,21)/t10-/m1/s1
InChIKey
WXRGJQZMGGGTSS-SNVBAGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
79.79
TPSA
102.01

LogP / Solubility

WLOGP
1.53
MLOGP
1.36
XLogP3
1.7
Consensus LogP
1.53
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly 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)
-3.63

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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