CAS RN: 209958-42-9
N-Boc-4-Bromo-2-fluoroaniline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260316 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-099829
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: 1g, 5g, 10g, 100g, 25g
- Available purity: >98%
- 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 |
|---|---|---|---|---|
| 1g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 2 In Stock | Beijing | Inquiry |
| 10g | >98% | 2 In Stock | Beijing | Inquiry |
| 100g | >98% | 2 In Stock | Beijing | Inquiry |
| 25g | >98% | 1 In Stock | Shenzhen | Inquiry |
209958-42-9 / tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
Basic Information
CAS
209958-42-9
Multi CAS
No
Molecular Formula
C11H13BrFNO2
Molecular Weight
290.130000
Exact Mass
289.011370
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Br)F
InChI
InChI=1S/C11H13BrFNO2/c1-11(2,3)16-10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,14,15)
InChIKey
DMHILFAMOKMHSO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.96
TPSA
38.33
LogP / Solubility
WLOGP
3.94
MLOGP
3.47
XLogP3
3.4
Consensus LogP
3.6
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
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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