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CAS 947141-86-8 trans-1-(Boc-aMino)-4-ethynylcyclohexane molecular structure lightbox
CAS RN: 947141-86-8

trans-1-(Boc-aMino)-4-ethynylcyclohexane

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260219 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-209857
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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: 1g, 0.1g, 0.25g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 947141-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Shenzhen Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

947141-86-8 / tert-butyl N-(4-ethynylcyclohexyl)carbamate

Standard CAS: 947141-86-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
947141-86-8
Multi CAS
Yes
Molecular Formula
C13H21NO2
Molecular Weight
223.310000
Exact Mass
223.157229
InChI
InChI=1S/C13H21NO2/c1-5-10-6-8-11(9-7-10)14-12(15)16-13(2,3)4/h1,10-11H,6-9H2,2-4H3,(H,14,15)
InChIKey
NZTBBJYAWNVCOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.77
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.95
TPSA
38.33

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.6
Consensus LogP
2.56
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

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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