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CAS 1216077-29-0 6-bromo-N,N-dimethylpyridine-3-sulfonamide molecular structure lightbox
CAS RN: 1216077-29-0

6-bromo-N,N-dimethylpyridine-3-sulfonamide

  • Product code: SSC-024188
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1216077-29-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1216077-29-0 / 6-bromo-N,N-dimethylpyridine-3-sulfonamide

Standard CAS: 1216077-29-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1216077-29-0
Multi CAS
No
Molecular Formula
C7H9BrN2O2S
Molecular Weight
265.130000
Exact Mass
263.956810
SMILES
CN(C)S(=O)(=O)C1=CN=C(C=C1)Br
InChI
InChI=1S/C7H9BrN2O2S/c1-10(2)13(11,12)6-3-4-7(8)9-5-6/h3-5H,1-2H3
InChIKey
NBFKXXGVSAFHSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.81
TPSA
50.27

LogP / Solubility

WLOGP
1.09
MLOGP
0.97
XLogP3
1
Consensus LogP
1.02
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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