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CAS 220913-43-9 TERT-BUTYL 4-AMINO-2-FLUOROPHENYLCARBAMATE molecular structure lightbox
CAS RN: 220913-43-9

TERT-BUTYL 4-AMINO-2-FLUOROPHENYLCARBAMATE

  • Product code: SSC-106282
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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
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 220913-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 5 In Stock Hong Kong Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry

220913-43-9 / tert-butyl N-(4-amino-2-fluorophenyl)carbamate

Standard CAS: 220913-43-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220913-43-9
Multi CAS
No
Molecular Formula
C11H15FN2O2
Molecular Weight
226.250000
Exact Mass
226.111756
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=C1)N)F
InChI
InChI=1S/C11H15FN2O2/c1-11(2,3)16-10(15)14-9-5-4-7(13)6-8(9)12/h4-6H,13H2,1-3H3,(H,14,15)
InChIKey
WBYYPBQKOOBWAE-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
3
H-bond donors
2
Molar refractivity
60.67
TPSA
64.35

LogP / Solubility

WLOGP
2.75
MLOGP
2.43
XLogP3
2
Consensus LogP
2.39
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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