![CAS 72832-25-8 3-BroMothieno[2,3-b]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72832-25-8.gif)
CAS RN: 72832-25-8
3-BroMothieno[2,3-b]pyridine-2-carboxylic acid
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.20250605 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS72832-25-8
- Purity/Analytical Methods: >99.0%
72832-25-8 / 3-bromothieno[2,3-b]pyridine-2-carboxylic acid
Basic Information
CAS
72832-25-8
Multi CAS
No
Molecular Formula
BC8H4O2RnS
Molecular Weight
258.090000
Exact Mass
256.914610
InChI
InChI=1S/C8H4BrNO2S/c9-5-4-2-1-3-10-7(4)13-6(5)8(11)12/h1-3H,(H,11,12)
InChIKey
NNHOXSZGHYROQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.28
TPSA
50.19
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
2.8
Consensus LogP
2.66
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
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: 72836-12-5
- Product Code: starshine_CAS72836-12-5
- Purity/Analytical method: >99.0%
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