CAS RN: 102195-80-2
BOC-4-OXO-PRO-OME
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250217 | 250mg / 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing | 8-10 business days | Inquiry |
- Product code: SSC-003474
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: 100g, 10g, 5g, 25g, 500g, 1g, 1000g
- Available purity: >98%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 100g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 4 In Stock | Shanghai | Inquiry |
| 5g | >98% | 2 In Stock | Beijing | Inquiry |
| 25g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 500g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | >98% | 0 Out of Stock | Beijing | Inquiry |
102195-80-2 / 1-O-tert-butyl 2-O-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate | DTXSID30401243 | RefChem:436611
Basic Information
CAS
102195-80-2
Multi CAS
Yes
Molecular Formula
C11H17NO5
Molecular Weight
243.260000
Exact Mass
243.110673
SMILES
CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)OC
InChI
InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h8H,5-6H2,1-4H3/t8-/m0/s1
InChIKey
UPBHYYJZVWZCOZ-QMMMGPOBSA-N
Synonyms
1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate
DTXSID30401243
RefChem:436611
DTXCID20352098
889-656-4
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
58.37
TPSA
72.91
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.6
Consensus LogP
0.66
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P362+P364, and P501
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