![CAS 1228675-18-0 2,5-Diazabicyclo[4.1.0]heptane-2-carboxylic Acid DiMethylethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228675-18-0.gif)
CAS RN: 1228675-18-0
2,5-Diazabicyclo[4.1.0]heptane-2-carboxylic Acid DiMethylethyl Ester
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.20260417 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-026505
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: 10g, 5g, 25g, 1g, 0.25g
- Available purity: >98%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 10g | >98% | 3 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 2 In Stock | Beijing | Inquiry |
| 1g | >98% | 1 In Stock | Beijing | Inquiry |
| 0.25g | >98% | 0 Out of Stock | Beijing | Inquiry |
1228675-18-0 / tert-butyl 2,5-diazabicyclo[4.1.0]heptane-2-carboxylate
Basic Information
CAS
1228675-18-0
Multi CAS
No
Molecular Formula
C10H18N2O2
Molecular Weight
198.260000
Exact Mass
198.136828
SMILES
CC(C)(C)OC(=O)N1CCNC2C1C2
InChI
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-4-11-7-6-8(7)12/h7-8,11H,4-6H2,1-3H3
InChIKey
MALCQJIQWIWGOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.14
TPSA
41.57
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
0.7
Consensus LogP
0.84
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1228676-24-1 tert-butyl (1S,5S,8S)-rel-8-hydroxy-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228676-24-1.gif)
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