CAS RN: 1029720-19-1
tert-butyl 3,3-difluorocyclobutylcarbaMate
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.20250415 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-004338
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1029720-19-1 / tert-butyl N-(3,3-difluorocyclobutyl)carbamate
tert-Butyl 3,3-difluoropyrrolidine-1-carboxylate | DTXSID70594946 | RefChem:383268
Basic Information
CAS
1029720-19-1
Multi CAS
Yes
Molecular Formula
C9H15F2NO2
Molecular Weight
207.220000
Exact Mass
207.107085
SMILES
CC(C)(C)OC(=O)NC1CC(C1)(F)F
InChI
InChI=1S/C9H15F2NO2/c1-8(2,3)14-7(13)12-6-4-9(10,11)5-6/h6H,4-5H2,1-3H3,(H,12,13)
InChIKey
AYWSUTXVTWBHLF-UHFFFAOYSA-N
Synonyms
tert-Butyl 3,3-difluoropyrrolidine-1-carboxylate
DTXSID70594946
RefChem:383268
DTXCID00545709
841-003-4
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.34
TPSA
38.33
LogP / Solubility
WLOGP
2.31
MLOGP
2.03
XLogP3
2.2
Consensus LogP
2.18
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.34
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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