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CAS 90703-08-5 (S)-tert-butyl (3-hydroxy-1-(methylamino)-1-oxopropan-2-yl)carbamate molecular structure lightbox
CAS RN: 90703-08-5

(S)-tert-butyl (3-hydroxy-1-(methylamino)-1-oxopropan-2-yl)carbamate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260330 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS90703-08-5
  • Purity/Analytical Methods: >99.0%
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90703-08-5 / tert-butyl N-[(2S)-3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]carbamate

Standard CAS: 90703-08-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90703-08-5
Multi CAS
Yes
Molecular Formula
C9H18N2O4
Molecular Weight
218.250000
Exact Mass
218.126657
InChI
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-6(5-12)7(13)10-4/h6,12H,5H2,1-4H3,(H,10,13)(H,11,14)/t6-/m0/s1
InChIKey
XUPIRCKOYWMVKF-LURJTMIESA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
54.31
TPSA
87.66

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.33
XLogP3
-0.4
Consensus LogP
-0.37
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-4.32

Drug-likeness / Medicinal Chemistry

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

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