CAS RN: 1260794-50-0
(5-Fluoro-pyridin-2-yl)-carbaMic acid tert-butyl ester
- Product code: SSC-032093
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: ≥97%
- Inventory rows with stock: 6
- 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 | ≥97% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 1g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 25g | ≥97% | 2 In Stock | Shanghai | Inquiry |
1260794-50-0 / tert-butyl N-(5-fluoro-2-pyridinyl)carbamate
Basic Information
CAS
1260794-50-0
Multi CAS
No
Molecular Formula
C10H13FN2O2
Molecular Weight
212.220000
Exact Mass
212.096106
SMILES
CC(C)(C)OC(=O)NC1=NC=C(C=C1)F
InChI
InChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14)
InChIKey
QJKDSHHDJJUUNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.05
TPSA
51.22
LogP / Solubility
WLOGP
2.57
MLOGP
2.26
XLogP3
1.9
Consensus LogP
2.24
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.19
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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