![CAS 942145-27-9 CarbaMic acid, N-[(1S)-1-(aMinoMethyl)-2-[(3R)-tetrahydro-2H-pyran-3-yl]ethyl]-N-Methyl-, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942145-27-9.gif)
CAS RN: 942145-27-9
CarbaMic acid, N-[(1S)-1-(aMinoMethyl)-2-[(3R)-tetrahydro-2H-pyran-3-yl]ethyl]-N-Methyl-, 1,1-diMethylethyl ester
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.20250804 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS942145-27-9
- Purity/Analytical Methods: >99.0%
942145-27-9 / tert-butyl N-[(2S)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]-N-methylcarbamate
Basic Information
CAS
942145-27-9
Multi CAS
Yes
Molecular Formula
C14H28N2O3
Molecular Weight
272.380000
Exact Mass
272.209993
InChI
InChI=1S/C14H28N2O3/c1-14(2,3)19-13(17)16(4)12(9-15)8-11-6-5-7-18-10-11/h11-12H,5-10,15H2,1-4H3/t11-,12+/m1/s1
InChIKey
MXNWARAWBOJCJF-NEPJUHHUSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75
TPSA
64.79
LogP / Solubility
WLOGP
2
MLOGP
1.77
XLogP3
1.2
Consensus LogP
1.66
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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