CAS RN: 1251455-27-2
Carbamic acid, N-(3-hydroxy-2-oxopropyl)-, 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.20250115 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1251455-27-2
- Purity/Analytical Methods: >99.0%
1251455-27-2 / tert-butyl N-(3-hydroxy-2-oxopropyl)carbamate
Basic Information
CAS
1251455-27-2
Multi CAS
No
Molecular Formula
C8H15NO4
Molecular Weight
189.210000
Exact Mass
189.100108
SMILES
CC(C)(C)OC(=O)NCC(=O)CO
InChI
InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9-4-6(11)5-10/h10H,4-5H2,1-3H3,(H,9,12)
InChIKey
ZWSWDSZTXMEGGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.33
TPSA
75.63
LogP / Solubility
WLOGP
0.07
MLOGP
0.06
Consensus LogP
0.04
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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