![CAS 1569298-20-9 Carbamic acid, N-[(2S)-1,4-dioxan-2-ylmethyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1569298-20-9.gif)
CAS RN: 1569298-20-9
Carbamic acid, N-[(2S)-1,4-dioxan-2-ylmethyl]-, 1,1-dimethylethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250223 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS1569298-20-9
- Purity/Analytical Methods: >99.0%
1569298-20-9 / tert-butyl N-[[(2S)-1,4-dioxan-2-yl]methyl]carbamate
Basic Information
CAS
1569298-20-9
Multi CAS
No
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
SMILES
CC(C)(C)OC(=O)NC[C@H]1COCCO1
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(12)11-6-8-7-13-4-5-14-8/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKey
MUORMZKANBKRCG-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.8
TPSA
56.79
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
0.5
Consensus LogP
0.75
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39
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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