![CAS 1093750-99-2 methyl 6,6-difluorobicyclo[3.1.0]hexane-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1093750-99-2.gif)
CAS RN: 1093750-99-2
methyl 6,6-difluorobicyclo[3.1.0]hexane-3-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.20250913 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-010643
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 |
1093750-99-2 / methyl 6,6-difluorobicyclo[3.1.0]hexane-3-carboxylate
methyl 6,6-difluorobicyclo[3.1.0]hexane-3-carboxylate | MFCD26521104 | methyl6,6-difluorobicyclo[3.1.0]hexane-3-carboxylate
Basic Information
CAS
1093750-99-2
Multi CAS
No
Molecular Formula
C8H10F2O2
Molecular Weight
176.160000
Exact Mass
176.064886
SMILES
COC(=O)C1CC2C(C1)C2(F)F
InChI
InChI=1S/C8H10F2O2/c1-12-7(11)4-2-5-6(3-4)8(5,9)10/h4-6H,2-3H2,1H3
InChIKey
UEJNIGHPMYGIDX-UHFFFAOYSA-N
Synonyms
methyl 6,6-difluorobicyclo[3.1.0]hexane-3-carboxylate
MFCD26521104
methyl6,6-difluorobicyclo[3.1.0]hexane-3-carboxylate
SCHEMBL4019478
UEJNIGHPMYGIDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.67
TPSA
26.3
LogP / Solubility
WLOGP
1.45
MLOGP
1.27
XLogP3
1.5
Consensus LogP
1.41
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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