![CAS 1949805-97-3 Prop-2-en-1-yl N-[(1R,2R)-2-aminocyclobutyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1949805-97-3.gif)
CAS RN: 1949805-97-3
Prop-2-en-1-yl N-[(1R,2R)-2-aminocyclobutyl]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.20250123 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1949805-97-3
- Purity/Analytical Methods: >99.0%
1949805-97-3 / prop-2-enyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
Basic Information
CAS
1949805-97-3
Multi CAS
No
Molecular Formula
C8H14N2O2
Molecular Weight
170.210000
Exact Mass
170.105528
SMILES
C=CCOC(=O)N[C@@H]1CC[C@H]1N
InChI
InChI=1S/C8H14N2O2/c1-2-5-12-8(11)10-7-4-3-6(7)9/h2,6-7H,1,3-5,9H2,(H,10,11)/t6-,7-/m1/s1
InChIKey
RLRYTKFSHUYLCU-RNFRBKRXSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.68
TPSA
64.35
LogP / Solubility
WLOGP
0.39
MLOGP
0.34
XLogP3
0.3
Consensus LogP
0.34
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-3.48
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
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