![CAS 1946010-92-9 methyl rel-(1r,3s)-3-{[(tert-butoxy)carbonyl]amino}-1-methylcyclobutane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB03122019(1).gif)
CAS RN: 1946010-92-9
methyl rel-(1r,3s)-3-{[(tert-butoxy)carbonyl]amino}-1-methylcyclobutane-1-carboxylate
- Product code: SSC-091804
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1946010-92-9 / methyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
Basic Information
CAS
1946010-92-9
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CC1(CC(C1)NC(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(15)13-8-6-12(4,7-8)9(14)16-5/h8H,6-7H2,1-5H3,(H,13,15)
InChIKey
BBOWAFRNFZDNDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.51
TPSA
64.63
LogP / Solubility
WLOGP
1.85
MLOGP
1.64
XLogP3
1.7
Consensus LogP
1.73
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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