![CAS 1463502-31-9 tert-butyl N-[(1s,3s)-3-ethynylcyclobutyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1463502-31-9.gif)
CAS RN: 1463502-31-9
tert-butyl N-[(1s,3s)-3-ethynylcyclobutyl]carbamate
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.20250520 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1463502-31-9
- Purity/Analytical Methods: >99.0%
1463502-31-9 / tert-butyl N-(3-ethynylcyclobutyl)carbamate
Basic Information
CAS
1463502-31-9
Multi CAS
No
Molecular Formula
C11H17NO2
Molecular Weight
195.260000
Exact Mass
195.125929
SMILES
CC(C)(C)OC(=O)NC1CC(C1)C#C
InChI
InChI=1S/C11H17NO2/c1-5-8-6-9(7-8)12-10(13)14-11(2,3)4/h1,8-9H,6-7H2,2-4H3,(H,12,13)
InChIKey
GCHLQQRBGMRWGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.71
TPSA
38.33
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
1.9
Consensus LogP
1.84
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.55
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
1.5
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 (100%): 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
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