CAS RN: 251320-63-5
CMQXNCQNVUMSNJ-SECBINFHSA-N
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.20260303 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS251320-63-5
- Purity/Analytical Methods: >99.0%
251320-63-5 / tert-butyl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylcarbamate
Basic Information
CAS
251320-63-5
Multi CAS
No
Molecular Formula
C11H23NO3
Molecular Weight
217.310000
Exact Mass
217.167794
SMILES
CC(C)[C@@H](CO)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H23NO3/c1-8(2)9(7-13)12(6)10(14)15-11(3,4)5/h8-9,13H,7H2,1-6H3/t9-/m1/s1
InChIKey
CMQXNCQNVUMSNJ-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.71
TPSA
49.77
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
1.8
Consensus LogP
1.77
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.72
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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