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CAS 66959-86-2 Boc-N-Me-Met-OH molecular structure lightbox
CAS RN: 66959-86-2

Boc-N-Me-Met-OH

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Batchno.20250530 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS66959-86-2
  • Purity/Analytical Methods: >99.0%
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66959-86-2 / (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylsulfanylbutanoic acid

Standard CAS: 66959-86-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66959-86-2
Multi CAS
Yes
Molecular Formula
C11H21NO4S
Molecular Weight
263.360000
Exact Mass
263.119129
InChI
InChI=1S/C11H21NO4S/c1-11(2,3)16-10(15)12(4)8(9(13)14)6-7-17-5/h8H,6-7H2,1-5H3,(H,13,14)/t8-/m0/s1
InChIKey
FLASRJKXDLPTOJ-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.42
TPSA
66.84

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
1.7
Consensus LogP
1.86
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly 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)
-2.86

Drug-likeness / Medicinal Chemistry

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

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