![CAS 332099-40-8 2-Chloro-4H-thieno[3,2-b]pyrrole-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/332099-40-8.gif)
CAS RN: 332099-40-8
2-Chloro-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-139189
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
332099-40-8 / 2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Basic Information
CAS
332099-40-8
Multi CAS
No
Molecular Formula
C7H4CLNO2S
Molecular Weight
201.630000
Exact Mass
200.965127
InChI
InChI=1S/C7H4ClNO2S/c8-6-2-3-5(12-6)1-4(9-3)7(10)11/h1-2,9H,(H,10,11)
InChIKey
OWJRYNILRVVVFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.14
TPSA
53.09
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.6
Consensus LogP
2.48
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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