![CAS 2055840-96-3 propan-2-yl -1-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclobutane-1-carboxylate,trans- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055840-96-3.png)
CAS RN: 2055840-96-3
propan-2-yl -1-{[(tert-butoxy)carbonyl]amino}-3-hydroxycyclobutane-1-carboxylate,trans-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250510 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2055840-96-3
- Purity/Analytical Methods: >99.0%
2055840-96-3 / propan-2-yl 3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
Basic Information
CAS
2055840-96-3
Multi CAS
No
Molecular Formula
C13H23NO5
Molecular Weight
273.330000
Exact Mass
273.157623
SMILES
CC(C)OC(=O)C1(CC(C1)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO5/c1-8(2)18-10(16)13(6-9(15)7-13)14-11(17)19-12(3,4)5/h8-9,15H,6-7H2,1-5H3,(H,14,17)
InChIKey
XBJRDXIWSRPFBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.57
TPSA
84.86
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
1.4
Consensus LogP
1.32
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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