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CAS 924817-72-1 1-(Boc-aMino)-3-broMo-1-(4-tetrahydropyranyl)propane molecular structure lightbox
CAS RN: 924817-72-1

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

  • Product code: SSC-206134
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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 924817-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

924817-72-1 / tert-butyl N-[3-bromo-1-(oxan-4-yl)propyl]carbamate

Standard CAS: 924817-72-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
924817-72-1
Multi CAS
Yes
Molecular Formula
BC13H24O3Rn
Molecular Weight
322.240000
Exact Mass
321.093960
InChI
InChI=1S/C13H24BrNO3/c1-13(2,3)18-12(16)15-11(4-7-14)10-5-8-17-9-6-10/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKey
PUZPQHGFWSMSNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.11
TPSA
47.56

LogP / Solubility

WLOGP
3.09
MLOGP
2.74
XLogP3
2.7
Consensus LogP
2.84
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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