[email protected]
CAS 1260664-44-5 tert-Butyl 3-(chlorosulfonyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1260664-44-5

tert-Butyl 3-(chlorosulfonyl)piperidine-1-carboxylate

  • Product code: SSC-031799
GET A QUOTE
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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1260664-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1260664-44-5 / tert-butyl 3-chlorosulfonylpiperidine-1-carboxylate

Standard CAS: 1260664-44-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1260664-44-5
Multi CAS
No
Molecular Formula
C10H18ClNO4S
Molecular Weight
283.770000
Exact Mass
283.064507
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H18ClNO4S/c1-10(2,3)16-9(13)12-6-4-5-8(7-12)17(11,14)15/h8H,4-7H2,1-3H3
InChIKey
GNGWMWXDMXELMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
65.6
TPSA
63.68

LogP / Solubility

WLOGP
1.95
MLOGP
1.73
XLogP3
1.8
Consensus LogP
1.83
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us