![CAS 388072-71-7 Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/388072-71-7.gif)
CAS RN: 388072-71-7
Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl- (9CI)
- Product code: SSC-146426
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, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 3
- 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 | >97% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 5g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
388072-71-7 / 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Basic Information
CAS
388072-71-7
Multi CAS
No
Molecular Formula
C10H19NO4
Molecular Weight
217.260000
Exact Mass
217.131408
InChI
InChI=1S/C10H19NO4/c1-6(8(12)13)7(2)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)
InChIKey
VZHAMECIWIQGRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.63
TPSA
75.63
LogP / Solubility
WLOGP
1.62
MLOGP
1.43
XLogP3
1.4
Consensus LogP
1.48
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 388079-58-1 (R)-1-[(R)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-FERROCENYL]ETHYLDIPHENYLPHOSPHINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/388079-58-1.gif)
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