![CAS 449811-20-5 Carbamic acid, [(1S)-2-hydroxy-1,2-dimethylpropyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/449811-20-5.gif)
CAS RN: 449811-20-5
Carbamic acid, [(1S)-2-hydroxy-1,2-dimethylpropyl]-, 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.20250921 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS449811-20-5
- Purity/Analytical Methods: >99.0%
449811-20-5 / tert-butyl N-(3-hydroxy-3-methylbutan-2-yl)carbamate
Basic Information
CAS
449811-20-5
Multi CAS
Yes
Molecular Formula
C10H21NO3
Molecular Weight
203.280000
Exact Mass
203.152144
InChI
InChI=1S/C10H21NO3/c1-7(10(5,6)13)11-8(12)14-9(2,3)4/h7,13H,1-6H3,(H,11,12)/t7-/m0/s1
InChIKey
ZBSFLGNSQZRBCS-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.13
TPSA
58.56
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.3
Consensus LogP
1.48
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.77
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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