CAS RN: 81597-52-6
“5-BroMo-thiophene-2-sulfonic acid MethylaMide”
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.20250208 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS81597-52-6
- Purity/Analytical Methods: >99.0%
81597-52-6 / 5-bromo-N-methylthiophene-2-sulfonamide
Basic Information
CAS
81597-52-6
Multi CAS
Yes
Molecular Formula
BC5H6O2RnS2
Molecular Weight
256.100000
Exact Mass
254.902330
InChI
InChI=1S/C5H6BrNO2S2/c1-7-11(8,9)5-3-2-4(6)10-5/h2-3,7H,1H3
InChIKey
JLLYLQLDYORLBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.26
TPSA
46.17
LogP / Solubility
WLOGP
1.42
MLOGP
1.26
XLogP3
1.9
Consensus LogP
1.53
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-3.28
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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- CAS RN: 81608-06-2
- Product Code: starshine_CAS81608-06-2
- Purity/Analytical method: >99.0%
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![CAS 81608-06-2 2-[(5-Bromo-2-pyridylazo]-5-[N-propyl-N-(3-sulfopropyl)amino]phenol,disodiumsalt,dihydrate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/81608-06-2.gif)
