CAS RN: 23046-03-9
5,6-dimethoxy-1-benzothiophene-2-carboxylic acid
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.20250206 | 100mg / 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-111891
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, 10g, 25g
- 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 |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 1 In Stock | Shanghai | Inquiry |
| 10g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 1 In Stock | Shanghai | Inquiry |
23046-03-9 / 5,6-dimethoxy-1-benzothiophene-2-carboxylic acid
Basic Information
CAS
23046-03-9
Multi CAS
No
Molecular Formula
C11H10O4S
Molecular Weight
238.260000
Exact Mass
238.029980
SMILES
COC1=C(C=C2C(=C1)C=C(S2)C(=O)O)OC
InChI
InChI=1S/C11H10O4S/c1-14-7-3-6-4-10(11(12)13)16-9(6)5-8(7)15-2/h3-5H,1-2H3,(H,12,13)
InChIKey
LIZUZUKHOVUSNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.89
TPSA
55.76
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
2.7
Consensus LogP
2.54
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.32
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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