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CAS 26060-98-0 BOC-D-MET-OSU molecular structure lightbox
CAS RN: 26060-98-0

BOC-D-MET-OSU

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Batchno.20250420 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS26060-98-0
  • Purity/Analytical Methods: >99.0%
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26060-98-0 / (2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate

Standard CAS: 26060-98-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26060-98-0
Multi CAS
No
Molecular Formula
C14H22N2O6S
Molecular Weight
346.400000
Exact Mass
346.119858
SMILES
CC(C)(C)OC(=O)NC(CCSC)C(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C14H22N2O6S/c1-14(2,3)21-13(20)15-9(7-8-23-4)12(19)22-16-10(17)5-6-11(16)18/h9H,5-8H2,1-4H3,(H,15,20)
InChIKey
PCZJWSPKNYONIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
83.34
TPSA
102.01

LogP / Solubility

WLOGP
1.24
MLOGP
1.11
XLogP3
1
Consensus LogP
1.12
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-3.95

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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