![CAS 2287346-31-8 Carbamic acid, N-[(1R)-3-hydroxy-1-(methoxymethyl)propyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2287346-31-8.gif)
CAS RN: 2287346-31-8
Carbamic acid, N-[(1R)-3-hydroxy-1-(methoxymethyl)propyl]-, 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.20251004 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2287346-31-8
- Purity/Analytical Methods: >99.0%
2287346-31-8 / tert-butyl N-(4-hydroxy-1-methoxybutan-2-yl)carbamate
Basic Information
CAS
2287346-31-8
Multi CAS
No
Molecular Formula
C10H21NO4
Molecular Weight
219.280000
Exact Mass
219.147058
SMILES
CC(C)(C)OC(=O)NC(CCO)COC
InChI
InChI=1S/C10H21NO4/c1-10(2,3)15-9(13)11-8(5-6-12)7-14-4/h8,12H,5-7H2,1-4H3,(H,11,13)/t8-/m1/s1
InChIKey
VFICVOGJYRPEIU-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.74
TPSA
67.79
LogP / Solubility
WLOGP
0.91
MLOGP
0.8
XLogP3
0.5
Consensus LogP
0.74
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-3.41
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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