CAS RN: 21535-97-7
3-Methylbenzofuran
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.20251102 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-103206
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: 0.25g, 1g, 5g, 10g, 25g
- Available purity: ≥98%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 0.25g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 1g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
21535-97-7 / 3-methyl-1-benzofuran
Basic Information
CAS
21535-97-7
Multi CAS
No
Molecular Formula
C9H8O
Molecular Weight
132.160000
Exact Mass
132.057515
SMILES
CC1=COC2=CC=CC=C12
InChI
InChI=1S/C9H8O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey
ZRXHLJNBNWVNIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
1
Molar refractivity
40.95
TPSA
13.14
LogP / Solubility
WLOGP
2.74
MLOGP
2.4
XLogP3
2.7
Consensus LogP
2.61
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 205-39-0 Benzo[b]naphtho[1,2-d]furan molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5884-jpgcontextbwfzdgvyfhjvb3r8mzk4mzj8aw1hz2uvanblz3xozdmvadm4lzg5mjkymje3mzg1mjyvqju4odquanbnfgiwodvmzjk2nza3ytu3ymeynjjkmtkyotazzddhn2mxzdvknwviztkxmtewnjqyztuyoduzmtrlmdnlntdkztm.jpeg)
