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CAS 74086-45-6 Boc-D-Methionine sulfone molecular structure lightbox
CAS RN: 74086-45-6

Boc-D-Methionine sulfone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260501 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS74086-45-6
  • Purity/Analytical Methods: >99.0%
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74086-45-6 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonylbutanoic acid

Standard CAS: 74086-45-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74086-45-6
Multi CAS
Yes
Molecular Formula
C10H19NO6S
Molecular Weight
281.330000
Exact Mass
281.093309
InChI
InChI=1S/C10H19NO6S/c1-10(2,3)17-9(14)11-7(8(12)13)5-6-18(4,15)16/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m1/s1
InChIKey
CPGDRHNBSOQFMF-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
65.12
TPSA
109.77

LogP / Solubility

WLOGP
0.4
MLOGP
0.36
XLogP3
0.3
Consensus LogP
0.35
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.15

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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