![CAS 120021-39-8 Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (3R)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/120021-39-8.gif)
CAS RN: 120021-39-8
Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (3R)- (9CI)
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.20260217 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-020831
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
120021-39-8 / (3R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
4-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoic acid | 4-(((Tert-butoxy)carbonyl)amino)-3-hydroxybutanoic acid | RefChem:508721
Basic Information
CAS
120021-39-8
Multi CAS
Yes
Molecular Formula
C9H17NO5
Molecular Weight
219.230000
Exact Mass
219.110673
SMILES
CC(C)(C)OC(=O)NC[C@@H](CC(=O)O)O
InChI
InChI=1S/C9H17NO5/c1-9(2,3)15-8(14)10-5-6(11)4-7(12)13/h6,11H,4-5H2,1-3H3,(H,10,14)(H,12,13)/t6-/m1/s1
InChIKey
PEZOIOCDCZQUCM-ZCFIWIBFSA-N
Synonyms
4-{[(tert-butoxy)carbonyl]amino}-3-hydroxybutanoic acid
4-(((Tert-butoxy)carbonyl)amino)-3-hydroxybutanoic acid
RefChem:508721
992-138-1
4-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acid
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
52.5
TPSA
95.86
LogP / Solubility
WLOGP
0.35
MLOGP
0.31
XLogP3
-0.2
Consensus LogP
0.15
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.81
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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