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CAS 209287-06-9 THIENO[3,2-B]PYRIDINE-2-SULFONYL CHLORIDE(WXG00966) molecular structure lightbox
CAS RN: 209287-06-9

THIENO[3,2-B]PYRIDINE-2-SULFONYL CHLORIDE(WXG00966)

  • Product code: SSC-099103
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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: 0.25g
  • 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 209287-06-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

209287-06-9 / thieno[3,2-b]pyridine-2-sulfonyl chloride

Standard CAS: 209287-06-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
209287-06-9
Multi CAS
No
Molecular Formula
C7H4ClNO2S2
Molecular Weight
233.700000
Exact Mass
232.937198
SMILES
C1=CC2=C(C=C(S2)S(=O)(=O)Cl)N=C1
InChI
InChI=1S/C7H4ClNO2S2/c8-13(10,11)7-4-5-6(12-7)2-1-3-9-5/h1-4H
InChIKey
KHXSHOAPGUCQLC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
52.66
TPSA
47.03

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.3
Consensus LogP
2.16
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

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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