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CAS 10147-41-8 1-OCTADECANESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 10147-41-8

1-OCTADECANESULFONYL CHLORIDE

  • Product code: SSC-002305
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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 10147-41-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

10147-41-8 / octadecane-1-sulfonyl chloride

Octadecane-1-sulphonyl chloride | EINECS 233-417-3 | DTXSID20143943

Standard CAS: 10147-41-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10147-41-8
Multi CAS
No
Molecular Formula
C18H37ClO2S
Molecular Weight
353.000000
Exact Mass
352.220279
SMILES
CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl
InChI
InChI=1S/C18H37ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3
InChIKey
VDRWNKIQBYUKGD-UHFFFAOYSA-N
Synonyms
Octadecane-1-sulphonyl chloride EINECS 233-417-3 DTXSID20143943 RefChem:855536 DTXCID2066434

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
17
H-bond acceptors
2
Molar refractivity
99.19
TPSA
34.14

LogP / Solubility

WLOGP
6.82
MLOGP
6.02
XLogP3
9.2
Consensus LogP
7.35
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.65
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.03

Drug-likeness / Medicinal Chemistry

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

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

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