![CAS 142363-99-3 3-AMINO-6-FLUORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/142363-99-3.gif)
CAS RN: 142363-99-3
3-AMINO-6-FLUORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
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.20260504 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-053227
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
142363-99-3 / methyl 3-amino-6-fluoro-1-benzothiophene-2-carboxylate
Basic Information
CAS
142363-99-3
Multi CAS
No
Molecular Formula
C10H8FNO2S
Molecular Weight
225.240000
Exact Mass
225.025978
SMILES
COC(=O)C1=C(C2=C(S1)C=C(C=C2)F)N
InChI
InChI=1S/C10H8FNO2S/c1-14-10(13)9-8(12)6-3-2-5(11)4-7(6)15-9/h2-4H,12H2,1H3
InChIKey
QPPUQPQQFRVVOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.53
TPSA
52.32
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
3.1
Consensus LogP
2.54
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.38
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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