CAS RN: 2296988-69-5
Fmoc-3,3-difluorocyclobutane-1-carboxylic acid
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.20260521 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-111656
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | >95% | 0 Out of Stock | Beijing | Inquiry |
2296988-69-5 / 1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3,3-difluorocyclobutane-1-carboxylic acid
Basic Information
CAS
2296988-69-5
Multi CAS
No
Molecular Formula
C21H19F2NO4
Molecular Weight
387.400000
Exact Mass
387.128214
SMILES
CN(C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4(CC(C4)(F)F)C(=O)O
InChI
InChI=1S/C21H19F2NO4/c1-24(20(18(25)26)11-21(22,23)12-20)19(27)28-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,25,26)
InChIKey
BQEGKUIQVHOTLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97.38
TPSA
66.84
LogP / Solubility
WLOGP
4.12
MLOGP
3.65
XLogP3
3.9
Consensus LogP
3.89
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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