![CAS 1240361-06-1 2-tert-ButoxycarbonylaMino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1240361-06-1.gif)
CAS RN: 1240361-06-1
2-tert-ButoxycarbonylaMino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251029 | 10g | Out of stock | Inquiry | ||
| Batchno.20251222 | 1g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20250818 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251031 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251005 | 5g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
- Product code: SSC-027729
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: 5g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | -- | 4 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 4 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 1g | -- | 2 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
1240361-06-1 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Basic Information
CAS
1240361-06-1
Multi CAS
No
Molecular Formula
C14H19NO4S
Molecular Weight
297.370000
Exact Mass
297.103479
SMILES
CC(C)(C)OC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O
InChI
InChI=1S/C14H19NO4S/c1-14(2,3)19-13(18)15-11-10(12(16)17)8-6-4-5-7-9(8)20-11/h4-7H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
CEVUYHUWKGOINS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77.78
TPSA
75.63
LogP / Solubility
WLOGP
3.67
MLOGP
3.24
XLogP3
3.8
Consensus LogP
3.57
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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