![CAS 161157-50-2 tert-Butyl 7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5969-jpgcontextbwfzdgvyfhjvb3r8mjg1mtz8aw1hz2uvanblz3xomtkvadm4lzg5mjkymjuwmtuzmjyvqju5njkuanbnfdc2otgyyjvlmtmyy2y4ythjzte1nge3ntmznzczm2jhmziymza5y2e5zjq1ndy3ntnlyti5mzg5ntm0mwriogu.jpeg)
CAS RN: 161157-50-2
tert-Butyl 7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
- Product code: SSC-068885
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: 1g, 5g, 10g, 25g, 100g, 500g
- Available purity: >97%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 25g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 500g | >97% | 0 Out of Stock | Shanghai | Inquiry |
161157-50-2 / tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
Basic Information
CAS
161157-50-2
Multi CAS
No
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
SMILES
CC(C)(C)OC(=O)N1CCC2C(C1)O2
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-5-4-7-8(6-11)13-7/h7-8H,4-6H2,1-3H3
InChIKey
MMPWHAJQEZIIEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
51.09
TPSA
42.07
LogP / Solubility
WLOGP
1.39
MLOGP
1.23
XLogP3
1
Consensus LogP
1.21
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
3,4-Dihydro-2-methoxy-4-methyl-2H-pyran (cis- and trans- mixture)
- CAS RN: 53608-95-0
- Product Code: SSC-160984
-
-
2-Propyl-4-(4-pyridylazo)phenol
- CAS RN: 253124-08-2
- Product Code: ICTP1442
- Purity/Analytical method: >98.0%(HPLC)
-
-
-
1-[N-(2-Hydroxyethyl)-4′-piperidyl]-3-(4′-piperidyl)propane
- CAS RN: 14712-23-3
- Product Code: SSC-057941
![CAS 14712-23-3 1-[N-(2-Hydroxyethyl)-4′-piperidyl]-3-(4′-piperidyl)propane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/h0361-jpgcontextbwfzdgvyfhjvb3r8mjq5mtl8aw1hz2uvanblz3xongqvagmzlzg5mza4nza0mjc2nzgvsdaznjeuanbnfgjjyzmwmtg4m2eynguxmjblnjy1mjy1mjdjytuzm2yzyza3njkynzvkmzzjywq4n2m1m2y0owrkytzjotawmjy.jpeg)