![CAS 34674-75-4 3-AMino-5-nitro-benzo[b]thiophene-2-carboxylic acid Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/34674-75-4.gif)
CAS RN: 34674-75-4
3-AMino-5-nitro-benzo[b]thiophene-2-carboxylic acid Methyl ester
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.20260304 | 250mg / 1g / 5g / 10g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-141255
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
34674-75-4 / methyl 3-amino-5-nitro-1-benzothiophene-2-carboxylate
Basic Information
CAS
34674-75-4
Multi CAS
No
Molecular Formula
C10H8N2O4S
Molecular Weight
252.250000
Exact Mass
252.020478
InChI
InChI=1S/C10H8N2O4S/c1-16-10(13)9-8(11)6-4-5(12(14)15)2-3-7(6)17-9/h2-4H,11H2,1H3
InChIKey
WMZGLTDTPSMOMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
64.23
TPSA
95.46
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2.8
Consensus LogP
2.3
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
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
1.5
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