![CAS 332099-35-1 “ethyl 3-broMo-4H-thieno[3,2-b]pyrrole-5-carboxylate” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/332099-35-1.gif)
CAS RN: 332099-35-1
“ethyl 3-broMo-4H-thieno[3,2-b]pyrrole-5-carboxylate”
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250811 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS332099-35-1
- Purity/Analytical Methods: >99.0%
332099-35-1 / ethyl 3-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
Basic Information
CAS
332099-35-1
Multi CAS
Yes
Molecular Formula
BC9H8O2RnS
Molecular Weight
274.140000
Exact Mass
272.945910
InChI
InChI=1S/C9H8BrNO2S/c1-2-13-9(12)6-3-7-8(11-6)5(10)4-14-7/h3-4,11H,2H2,1H3
InChIKey
KSONMHNRMJQMFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
8
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.83
TPSA
42.09
LogP / Solubility
WLOGP
3.17
MLOGP
2.8
XLogP3
3.1
Consensus LogP
3.02
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-2.14
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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