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CAS 173606-54-7 10-(T-BOC-AMINO)-1-DECANOL molecular structure lightbox
CAS RN: 173606-54-7

10-(T-BOC-AMINO)-1-DECANOL

  • Product code: SSC-076245
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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: 97%
  • Inventory rows with stock: 2
  • 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 173606-54-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g 97% 1 In Stock Beijing Inquiry
0.25g 97% 1 In Stock Hong Kong Inquiry
1g 97% 0 Out of Stock Beijing Inquiry
5g 97% 0 Out of Stock Shenzhen Inquiry

173606-54-7 / tert-butyl N-(10-hydroxydecyl)carbamate

Standard CAS: 173606-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
173606-54-7
Multi CAS
No
Molecular Formula
C15H31NO3
Molecular Weight
273.410000
Exact Mass
273.230394
SMILES
CC(C)(C)OC(=O)NCCCCCCCCCCO
InChI
InChI=1S/C15H31NO3/c1-15(2,3)19-14(18)16-12-10-8-6-4-5-7-9-11-13-17/h17H,4-13H2,1-3H3,(H,16,18)
InChIKey
ZEWLESIFIREKBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78.26
TPSA
58.56

LogP / Solubility

WLOGP
3.62
MLOGP
3.2
XLogP3
3.8
Consensus LogP
3.54
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81

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
1.5

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