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CAS 924817-75-4 1-(Boc-aMino)-3-broMo-1-(4-fluorophenyl)propane molecular structure lightbox
CAS RN: 924817-75-4

1-(Boc-aMino)-3-broMo-1-(4-fluorophenyl)propane

  • Product code: SSC-206135
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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: ≥95%
  • 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 924817-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry

924817-75-4 / tert-butyl N-[3-bromo-1-(4-fluorophenyl)propyl]carbamate

Standard CAS: 924817-75-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
924817-75-4
Multi CAS
No
Molecular Formula
BC14H19NO2Rf
Molecular Weight
332.210000
Exact Mass
331.058320
InChI
InChI=1S/C14H19BrFNO2/c1-14(2,3)19-13(18)17-12(8-9-15)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,18)
InChIKey
RBZPTCMSIPNDPT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.92
TPSA
38.33

LogP / Solubility

WLOGP
4.18
MLOGP
3.69
XLogP3
3.7
Consensus LogP
3.86
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

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
2

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