CAS RN: 62009-37-4

5-Bromo-N,N-diethylpyridine-3-sulphonamide

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Batchno.20260216 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS62009-37-4
  • Purity/Analytical Methods: >99.0%
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62009-37-4 / 5-bromo-N,N-diethylpyridine-3-sulfonamide

Standard CAS: 62009-37-4 Multi CAS: Yes

Basic Information

CAS
62009-37-4
Multi CAS
Yes
Molecular Formula
BC9H13O2Rn2S
Molecular Weight
293.180000
Exact Mass
291.988110
InChI
InChI=1S/C9H13BrN2O2S/c1-3-12(4-2)15(13,14)9-5-8(10)6-11-7-9/h5-7H,3-4H2,1-2H3
InChIKey
DMCLRSISAMTJLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
62.04
TPSA
50.27

LogP / Solubility

WLOGP
1.87
MLOGP
1.66
XLogP3
1.4
Consensus LogP
1.64
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

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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