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CAS 167102-61-6 TERT-BUTYL (R)-1-(N-METHOXY-N-METHYLCARBAMOYL)-2-HYDROXYETHYLCARBAMATE molecular structure lightbox
CAS RN: 167102-61-6

TERT-BUTYL (R)-1-(N-METHOXY-N-METHYLCARBAMOYL)-2-HYDROXYETHYLCARBAMATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250516 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS167102-61-6
  • Purity/Analytical Methods: >99.0%
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167102-61-6 / tert-butyl N-[(2R)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate

Standard CAS: 167102-61-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
167102-61-6
Multi CAS
No
Molecular Formula
C10H20N2O5
Molecular Weight
248.280000
Exact Mass
248.137222
SMILES
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N(C)OC
InChI
InChI=1S/C10H20N2O5/c1-10(2,3)17-9(15)11-7(6-13)8(14)12(4)16-5/h7,13H,6H2,1-5H3,(H,11,15)/t7-/m1/s1
InChIKey
DJHNFMPUFGYKTR-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
60.02
TPSA
88.1

LogP / Solubility

WLOGP
-0.11
MLOGP
-0.09
XLogP3
-0.1
Consensus LogP
-0.1
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-4.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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