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CAS 887353-35-7 12-(T-BOC-AMINO)-1-DODECYL BROMIDE molecular structure lightbox
CAS RN: 887353-35-7

12-(T-BOC-AMINO)-1-DODECYL BROMIDE

  • Product code: SSC-200255
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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 887353-35-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

887353-35-7 / tert-butyl N-(12-bromododecyl)carbamate

Standard CAS: 887353-35-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887353-35-7
Multi CAS
No
Molecular Formula
BC17H34O2Rn
Molecular Weight
364.400000
Exact Mass
363.177290
InChI
InChI=1S/C17H34BrNO2/c1-17(2,3)21-16(20)19-15-13-11-9-7-5-4-6-8-10-12-14-18/h4-15H2,1-3H3,(H,19,20)
InChIKey
NMEYVOTVGMXGKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.94
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
94.2
TPSA
38.33

LogP / Solubility

WLOGP
5.81
MLOGP
5.13
XLogP3
6.4
Consensus LogP
5.78
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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