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CAS 1689-02-7 PYRROLIDINE-1-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 1689-02-7

PYRROLIDINE-1-SULFONYL CHLORIDE

  • Product code: SSC-073593
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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, 5g, 10g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1689-02-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
10g ≥95% 2 In Stock Shanghai Inquiry
25g ≥95% 2 In Stock Shanghai Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

1689-02-7 / pyrrolidine-1-sulfonyl chloride

Standard CAS: 1689-02-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1689-02-7
Multi CAS
No
Molecular Formula
C4H8ClNO2S
Molecular Weight
169.630000
Exact Mass
168.996427
SMILES
C1CCN(C1)S(=O)(=O)Cl
InChI
InChI=1S/C4H8ClNO2S/c5-9(7,8)6-3-1-2-4-6/h1-4H2
InChIKey
JRIQCVWTPGVBBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
35.58
TPSA
37.38

LogP / Solubility

WLOGP
0.57
MLOGP
0.49
XLogP3
0.8
Consensus LogP
0.62
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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