CAS RN: 163210-89-7
tert-Butyl (S)-4-Bromo-2-(Boc-amino)butyrate
- Product code: SSC-070878
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 25g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 4 In Stock | Shanghai | Inquiry |
| 10g | >95% | 4 In Stock | Shanghai | Inquiry |
163210-89-7 / tert-butyl (2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Basic Information
CAS
163210-89-7
Multi CAS
No
Molecular Formula
C13H24BrNO4
Molecular Weight
338.240000
Exact Mass
337.088870
SMILES
CC(C)(C)OC(=O)[C@H](CCBr)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H24BrNO4/c1-12(2,3)18-10(16)9(7-8-14)15-11(17)19-13(4,5)6/h9H,7-8H2,1-6H3,(H,15,17)/t9-/m0/s1
InChIKey
KAHXNHVFTFWYDP-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.41
TPSA
64.63
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
3
Consensus LogP
2.89
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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