![CAS 721927-59-9 Carbamic acid, [(1S)-2-hydroxy-1-(methoxymethyl)ethyl]-, 1,1-dimethylethyl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/721927-59-9.gif)
CAS RN: 721927-59-9
Carbamic acid, [(1S)-2-hydroxy-1-(methoxymethyl)ethyl]-, 1,1-dimethylethyl
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.20260422 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS721927-59-9
- Purity/Analytical Methods: >99.0%
721927-59-9 / tert-butyl N-(1-hydroxy-3-methoxypropan-2-yl)carbamate
Basic Information
CAS
721927-59-9
Multi CAS
Yes
Molecular Formula
C9H19NO4
Molecular Weight
205.250000
Exact Mass
205.131408
InChI
InChI=1S/C9H19NO4/c1-9(2,3)14-8(12)10-7(5-11)6-13-4/h7,11H,5-6H2,1-4H3,(H,10,12)/t7-/m0/s1
InChIKey
CMWJWKLWQJMPMM-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.12
TPSA
67.79
LogP / Solubility
WLOGP
0.52
MLOGP
0.46
XLogP3
0.2
Consensus LogP
0.39
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
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)
-3.6
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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