![CAS 1270030-08-4 2-[7-(tert-Butyl)pyren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5489-jpgcontextbwfzdgvyfhjvb3r8mzmzntz8aw1hz2uvanblz3xoodivadhjlzg5mjkymdm5mti3mzqvqju0odkuanbnfdi1njk2yzu1nwe2otllzwexyjlinzezywexmwzkmdjlzjrmntk5yznmnmzmmjmyzgq3nje4mjllndjkotrmnza.jpeg)
CAS RN: 1270030-08-4
2-[7-(tert-Butyl)pyren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251203 | 50mg / 200mg / 1g | Confirm by inquiry | Shanghai | 30 business days | Inquiry |
- Product code: SSC-034397
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 |
1270030-08-4 / 2-(7-tert-butylpyren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1270030-08-4
Multi CAS
No
Molecular Formula
C26H29BO2
Molecular Weight
384.300000
Exact Mass
384.226060
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C4C(=C2)C=CC5=C4C(=CC(=C5)C(C)(C)C)C=C3
InChI
InChI=1S/C26H29BO2/c1-24(2,3)20-12-16-8-10-18-14-21(27-28-25(4,5)26(6,7)29-27)15-19-11-9-17(13-20)22(16)23(18)19/h8-15H,1-7H3
InChIKey
KZUKZYBHDUDEHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
124.56
TPSA
18.46
LogP / Solubility
WLOGP
6.18
MLOGP
5.46
XLogP3
6.18
Consensus LogP
5.94
Log S (ESOL)
-6.46
Class (ESOL)
Insoluble
Log S (Ali)
-7.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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