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CAS 220548-03-8 PYRIMIDINE-2-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 220548-03-8

PYRIMIDINE-2-SULFONYL CHLORIDE

  • Product code: SSC-106107
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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 220548-03-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

220548-03-8 / pyrimidine-2-sulfonyl chloride

Standard CAS: 220548-03-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220548-03-8
Multi CAS
No
Molecular Formula
C4H3ClN2O2S
Molecular Weight
178.600000
Exact Mass
177.960376
SMILES
C1=CN=C(N=C1)S(=O)(=O)Cl
InChI
InChI=1S/C4H3ClN2O2S/c5-10(8,9)4-6-2-1-3-7-4/h1-3H
InChIKey
CULAGHAXBSYDOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
35.07
TPSA
59.92

LogP / Solubility

WLOGP
0.4
MLOGP
0.35
XLogP3
0.6
Consensus LogP
0.45
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-3.52

Drug-likeness / Medicinal Chemistry

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

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