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CAS 924817-79-8 1-(Boc-aMino)-3-broMo-1-(4-broMophenyl)propane molecular structure lightbox
CAS RN: 924817-79-8

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

  • Product code: SSC-206137
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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, 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 924817-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

924817-79-8 / tert-butyl N-[3-bromo-1-(4-bromophenyl)propyl]carbamate

Standard CAS: 924817-79-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
924817-79-8
Multi CAS
No
Molecular Formula
C14H19BR2NO2
Molecular Weight
393.110000
Exact Mass
392.976200
InChI
InChI=1S/C14H19Br2NO2/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
UAPISCZVBFRXLT-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
84.66
TPSA
38.33

LogP / Solubility

WLOGP
4.8
MLOGP
4.25
XLogP3
4.3
Consensus LogP
4.45
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.68
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.71

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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