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CAS 1627754-74-8 TERT-BUTYL (2-AMINO-5-FLUOROPHENYL)(METHYL)CARBAMATE molecular structure lightbox
CAS RN: 1627754-74-8

TERT-BUTYL (2-AMINO-5-FLUOROPHENYL)(METHYL)CARBAMATE

  • Product code: SSC-070158
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1627754-74-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1627754-74-8 / tert-butyl N-(2-amino-5-fluorophenyl)-N-methylcarbamate

Standard CAS: 1627754-74-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1627754-74-8
Multi CAS
No
Molecular Formula
C12H17FN2O2
Molecular Weight
240.270000
Exact Mass
240.127406
SMILES
CC(C)(C)OC(=O)N(C)C1=C(C=CC(=C1)F)N
InChI
InChI=1S/C12H17FN2O2/c1-12(2,3)17-11(16)15(4)10-7-8(13)5-6-9(10)14/h5-7H,14H2,1-4H3
InChIKey
NCYOSIATIARVSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.45
TPSA
55.56

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.1
Consensus LogP
2.44
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.21

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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