CAS RN: 1083181-23-0
3-(AMinoMethyl)-3-fluoro-…
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.20250314 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-009678
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 1 In Stock | Beijing | Inquiry |
| 10g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 0 Out of Stock | Shanghai | Inquiry |
1083181-23-0 / tert-butyl 3-(aminomethyl)-3-fluoroazetidine-1-carboxylate
tert-butyl 3-(aminomethyl)-3-fluoroazetidine-1-carboxylate | DTXSID70705353 | RefChem:383309
Basic Information
CAS
1083181-23-0
Multi CAS
No
Molecular Formula
C9H17FN2O2
Molecular Weight
204.240000
Exact Mass
204.127406
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CN)F
InChI
InChI=1S/C9H17FN2O2/c1-8(2,3)14-7(13)12-5-9(10,4-11)6-12/h4-6,11H2,1-3H3
InChIKey
HRNGGAXXQINCHD-UHFFFAOYSA-N
Synonyms
tert-butyl 3-(aminomethyl)-3-fluoroazetidine-1-carboxylate
DTXSID70705353
RefChem:383309
DTXCID40656101
846-133-5
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.7
TPSA
55.56
LogP / Solubility
WLOGP
0.9
MLOGP
0.8
XLogP3
0.2
Consensus LogP
0.63
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
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