CAS RN: 174139-67-4
Brinzolamide impurity
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.20260101 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS174139-67-4
- Purity/Analytical Methods: >99.0%
174139-67-4 / 3-(2-bromo-1-hydroxyethyl)-5-chlorothiophene-2-sulfonamide
Basic Information
CAS
174139-67-4
Multi CAS
No
Molecular Formula
C6H7BrClNO3S2
Molecular Weight
320.600000
Exact Mass
318.873930
SMILES
C1=C(SC(=C1C(CBr)O)S(=O)(=O)N)Cl
InChI
InChI=1S/C6H7BrClNO3S2/c7-2-4(10)3-1-5(8)13-6(3)14(9,11)12/h1,4,10H,2H2,(H2,9,11,12)
InChIKey
LVOVNUYXUQYNSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.46
TPSA
80.39
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1.4
Consensus LogP
1.4
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63
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
2
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