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CAS 1060801-83-3 5-Methoxy-pyridine-2-sulfonyl chloride molecular structure lightbox
CAS RN: 1060801-83-3

5-Methoxy-pyridine-2-sulfonyl chloride

  • Product code: SSC-007734
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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 1060801-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1060801-83-3 / 5-methoxypyridine-2-sulfonyl chloride

5-METHOXYPYRIDINE-2-SULFONYL CHLORIDE | 5-Methoxy-pyridine-2-sulfonyl chloride | MFCD13189016

Standard CAS: 1060801-83-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060801-83-3
Multi CAS
No
Molecular Formula
C6H6ClNO3S
Molecular Weight
207.640000
Exact Mass
206.975692
SMILES
COC1=CN=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H6ClNO3S/c1-11-5-2-3-6(8-4-5)12(7,9)10/h2-4H,1H3
InChIKey
QMQIGRMQXRYLQV-UHFFFAOYSA-N
Synonyms
5-METHOXYPYRIDINE-2-SULFONYL CHLORIDE 5-Methoxy-pyridine-2-sulfonyl chloride MFCD13189016 SCHEMBL1816343 QMQIGRMQXRYLQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
43.83
TPSA
56.26

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
1.2
Consensus LogP
1.04
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-3.26

Drug-likeness / Medicinal Chemistry

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

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