CAS RN: 22373-14-4
N-Cbz-(S)-2-aMino-1-butanol
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.20250601 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS22373-14-4
- Purity/Analytical Methods: >99.0%
22373-14-4 / benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
Basic Information
CAS
22373-14-4
Multi CAS
No
Molecular Formula
C12H17NO3
Molecular Weight
223.270000
Exact Mass
223.120843
SMILES
CC[C@@H](CO)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C12H17NO3/c1-2-11(8-14)13-12(15)16-9-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m0/s1
InChIKey
SBWYBQRWDXWJDV-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.93
TPSA
58.56
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
1.7
Consensus LogP
1.62
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-2.89
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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