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CAS 1363166-48-6 4-Methyl-N-(4-Methyl-2-pyridyl)benzenesulfonaMide Hydrochloride molecular structure lightbox
CAS RN: 1363166-48-6

4-Methyl-N-(4-Methyl-2-pyridyl)benzenesulfonaMide Hydrochloride

  • Product code: SSC-045246
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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, 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 1363166-48-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1363166-48-6 / 4-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide;hydrochloride

Standard CAS: 1363166-48-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363166-48-6
Multi CAS
No
Molecular Formula
C13H15ClN2O2S
Molecular Weight
298.790000
Exact Mass
298.054277
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=C2)C.Cl
InChI
InChI=1S/C13H14N2O2S.ClH/c1-10-3-5-12(6-4-10)18(16,17)15-13-9-11(2)7-8-14-13;/h3-9H,1-2H3,(H,14,15);1H
InChIKey
LAIVCEHWKMPXHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.21
TPSA
59.06

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
2.92
Consensus LogP
2.81
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

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

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