CAS RN: 1023816-98-9
6-amino-5-bromopyridine-3-sulfonamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250807 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1023816-98-9
- Purity/Analytical Methods: >99.0%
1023816-98-9 / 6-amino-5-bromopyridine-3-sulfonamide
6-amino-5-bromopyridine-3-sulfonamide | MFCD09881180 | 6-amino-5-bromo-3-pyridinesulfonamide
Basic Information
CAS
1023816-98-9
Multi CAS
No
Molecular Formula
C5H6BrN3O2S
Molecular Weight
252.090000
Exact Mass
250.936410
SMILES
C1=C(C=NC(=C1Br)N)S(=O)(=O)N
InChI
InChI=1S/C5H6BrN3O2S/c6-4-1-3(12(8,10)11)2-9-5(4)7/h1-2H,(H2,7,9)(H2,8,10,11)
InChIKey
XXYFPGBHSSVOMR-UHFFFAOYSA-N
Synonyms
6-amino-5-bromopyridine-3-sulfonamide
MFCD09881180
6-amino-5-bromo-3-pyridinesulfonamide
AKOS023553578
6-amino-5-bromo-pyridine-3-sulfonamide
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.72
TPSA
99.07
LogP / Solubility
WLOGP
0.07
MLOGP
0.07
XLogP3
-0.2
Consensus LogP
-0.02
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.21
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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