CAS RN: 1033718-11-4
cis-3-((tert-butoxycarbonyl)(methyl)amino)cyclobutyl methanesulfonate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251113 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1033718-11-4
- Purity/Analytical Methods: >99.0%
1033718-11-4 / [3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl] methanesulfonate
tert-butyl N-methyl-N-[(1r,3r)-3-(methanesulfonyloxy)cyclobutyl]carbamate | tert-butyl N-methyl-N-[(1s,3s)-3-(methanesulfonyloxy)cyclobutyl]carbamate | MFCD30719365
Basic Information
CAS
1033718-11-4
Multi CAS
Yes
Molecular Formula
C11H21NO5S
Molecular Weight
279.360000
Exact Mass
279.114044
SMILES
CC(C)(C)OC(=O)N(C)C1CC(C1)OS(=O)(=O)C
InChI
InChI=1S/C11H21NO5S/c1-11(2,3)16-10(13)12(4)8-6-9(7-8)17-18(5,14)15/h8-9H,6-7H2,1-5H3
InChIKey
QZMISUGTEOFBGE-UHFFFAOYSA-N
Synonyms
tert-butyl N-methyl-N-[(1r,3r)-3-(methanesulfonyloxy)cyclobutyl]carbamate
tert-butyl N-methyl-N-[(1s,3s)-3-(methanesulfonyloxy)cyclobutyl]carbamate
MFCD30719365
tert-butyl N-methyl-N-[trans-3-(methanesulfonyloxy)cyclobutyl]carbamate
cis-[3-[tert-butoxycarbonyl(methyl)amino]cyclobutyl] methanesulfonate
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
66.74
TPSA
72.91
LogP / Solubility
WLOGP
1.36
MLOGP
1.21
XLogP3
1.2
Consensus LogP
1.26
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately 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)
-3.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1033718-21-6 TERT-BUTYL N-METHYL-N-[(1R,3R)-3-(METHANESULFONYLOXY)CYCLOBUTYL]CARBAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1033718-21-6.gif)
