[email protected]
CAS 145508-94-7 1-Boc-4-iodomethyl-piperidine molecular structure lightbox
CAS RN: 145508-94-7

1-Boc-4-iodomethyl-piperidine

  • Product code: SSC-056839
GET A QUOTE
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, 25g, 5g, 10g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 145508-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
25g >95% 5 In Stock Beijing Inquiry
5g >95% 3 In Stock Beijing Inquiry
10g >95% 2 In Stock Shenzhen Inquiry
100g >95% 1 In Stock Beijing Inquiry

145508-94-7 / tert-butyl 4-(iodomethyl)piperidine-1-carboxylate

Standard CAS: 145508-94-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
145508-94-7
Multi CAS
No
Molecular Formula
C11H20INO2
Molecular Weight
325.190000
Exact Mass
325.053880
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CI
InChI
InChI=1S/C11H20INO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3
InChIKey
RSMNYTJCWIDZAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.42
TPSA
29.54

LogP / Solubility

WLOGP
3.07
MLOGP
2.72
XLogP3
3.1
Consensus LogP
2.96
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
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)
-2.53

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
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us