![CAS 158201-15-1 1-benzyl 4-methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}butanedioate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/158201-15-1.gif)
CAS RN: 158201-15-1
1-benzyl 4-methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}butanedioate
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.20250704 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-066714
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
158201-15-1 / 1-O-benzyl 4-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
Basic Information
CAS
158201-15-1
Multi CAS
No
Molecular Formula
C17H23NO6
Molecular Weight
337.400000
Exact Mass
337.152537
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)OC)C(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-16(21)18-13(10-14(19)22-4)15(20)23-11-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,21)/t13-/m0/s1
InChIKey
FPCCYAVUHTZEDN-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
86.03
TPSA
90.93
LogP / Solubility
WLOGP
2.19
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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