CAS RN: 2168082-49-1
methyl 1-fluoro-3-hydroxycyclobutane-1-carboxylate
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.20260104 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-104181
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 | Shanghai | Inquiry |
2168082-49-1 / methyl 1-fluoro-3-hydroxycyclobutane-1-carboxylate
Basic Information
CAS
2168082-49-1
Multi CAS
No
Molecular Formula
C6H9FO3
Molecular Weight
148.130000
Exact Mass
148.053572
SMILES
COC(=O)C1(CC(C1)O)F
InChI
InChI=1S/C6H9FO3/c1-10-5(9)6(7)2-4(8)3-6/h4,8H,2-3H2,1H3
InChIKey
JDDAJADITHKGCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.1
TPSA
46.53
LogP / Solubility
WLOGP
0.02
MLOGP
0.01
XLogP3
0.2
Consensus LogP
0.08
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very 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)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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