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CAS 924817-99-2 1-(Boc-aMino)-3-broMo-1-(3-fluorophenyl)propane molecular structure lightbox
CAS RN: 924817-99-2

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

  • Product code: SSC-206141
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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: 5g
  • 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 924817-99-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

924817-99-2 / tert-butyl N-[3-bromo-1-(3-fluorophenyl)propyl]carbamate

Standard CAS: 924817-99-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
924817-99-2
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(7-8-15)10-5-4-6-11(16)9-10/h4-6,9,12H,7-8H2,1-3H3,(H,17,18)
InChIKey
CYBHDUKESZKWLC-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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