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CAS 1341039-98-2 2-METHANESULFONYL-3-METHYL-3H-IMIDAZO[4,5-B]PYRIDINE molecular structure lightbox
CAS RN: 1341039-98-2

2-METHANESULFONYL-3-METHYL-3H-IMIDAZO[4,5-B]PYRIDINE

  • Product code: SSC-041405
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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 1341039-98-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1341039-98-2 / 3-methyl-2-methylsulfonylimidazo[4,5-b]pyridine

Standard CAS: 1341039-98-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1341039-98-2
Multi CAS
No
Molecular Formula
C8H9N3O2S
Molecular Weight
211.240000
Exact Mass
211.041548
SMILES
CN1C2=C(C=CC=N2)N=C1S(=O)(=O)C
InChI
InChI=1S/C8H9N3O2S/c1-11-7-6(4-3-5-9-7)10-8(11)14(2,12)13/h3-5H,1-2H3
InChIKey
DTEXGEJZUVIVGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
51.62
TPSA
64.85

LogP / Solubility

WLOGP
0.37
MLOGP
0.33
XLogP3
0.3
Consensus LogP
0.33
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.74

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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