![CAS 1390584-88-9 2-[5-(2-Ethylhexyl)-2-thienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e1295-jpgcontextbwfzdgvyfhjvb3r8mzaxoth8aw1hz2uvanblz3xonwevadg2lzg5mza1odywmde0mzgvrteyotuuanbnfdi5zmfjodnlnjdjndbmmtvmmzqxndmxngu1njrmnjjhnjg4mjcxntrhyzy3ytuwztfkzjgyyjnlotg2owqzy2i.jpeg)
CAS RN: 1390584-88-9
2-[5-(2-Ethylhexyl)-2-thienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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.20251203 | 100mg / 200mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-049174
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 | Hong Kong | Inquiry |
1390584-88-9 / 2-[5-(2-ethylhexyl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1390584-88-9
Multi CAS
No
Molecular Formula
C18H31BO2S
Molecular Weight
322.300000
Exact Mass
322.213782
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)CC(CC)CCCC
InChI
InChI=1S/C18H31BO2S/c1-7-9-10-14(8-2)13-15-11-12-16(22-15)19-20-17(3,4)18(5,6)21-19/h11-12,14H,7-10,13H2,1-6H3
InChIKey
ZQQJWALJWJYJDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.78
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
97.05
TPSA
18.46
LogP / Solubility
WLOGP
4.81
MLOGP
4.24
XLogP3
4.81
Consensus LogP
4.62
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1401577-23-8 2-([1,1′:4′,1”-Terphenyl]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3874-jpgcontextbwfzdgvyfhjvb3r8mzi4ntb8aw1hz2uvanblz3xozdevadiwlzg5mzi3mjy2njkzndivvdm4nzquanbnfdviywjlnzc2ndc2nje0ymi2ndyxy2q1nmjlmdhmm2e1n2rlnjfhnje5zjbhodc2nzuxmzu2zmmxnwm2otu5nwq.jpeg)
![CAS 1385826-84-5 2-([1,1′:3′,1”-Terphenyl]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3873-jpgcontextbwfzdgvyfhjvb3r8mzmynzl8aw1hz2uvanblz3xon2yvadixlzg5mzi3mjy2mdm4mdyvvdm4nzmuanbnfgriyzrmngi4yzg4yteyngvinmq4mgfjogvmnwq5zduxndhiymmyzjjjzdg0zwe2zddjzmi4mzbln2uyzge5zgi.jpeg)