![CAS 1023674-81-8 4,4,5,5-Tetramethyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1023674-81-8.gif)
CAS RN: 1023674-81-8
4,4,5,5-Tetramethyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-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.20250330 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-003642
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1023674-81-8 / 4,4,5,5-tetramethyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[3-(10-phenyl-9-anthracenyl)phenyl]- | 4,4,5,5-tetramethyl-2-(3-(10-phenylanthracen-9-yl)phenyl)-1,3,2-dioxaborolane | MFCD30738349
Basic Information
CAS
1023674-81-8
Multi CAS
No
Molecular Formula
C32H29BO2
Molecular Weight
456.400000
Exact Mass
456.226060
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC=CC=C6
InChI
InChI=1S/C32H29BO2/c1-31(2)32(3,4)35-33(34-31)24-16-12-15-23(21-24)30-27-19-10-8-17-25(27)29(22-13-6-5-7-14-22)26-18-9-11-20-28(26)30/h5-21H,1-4H3
InChIKey
VEHKBDZMQJTRFJ-UHFFFAOYSA-N
Synonyms
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[3-(10-phenyl-9-anthracenyl)phenyl]-
4,4,5,5-tetramethyl-2-(3-(10-phenylanthracen-9-yl)phenyl)-1,3,2-dioxaborolane
MFCD30738349
4,4,5,5-tetramethyl-2-[3-(10-phenyl-9-anthracenyl)phenyl]-1,3,2-dioxaborolane
4,4,5,5-tetramethyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,2-dioxaborolane
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
26
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
148.04
TPSA
18.46
LogP / Solubility
WLOGP
7.63
MLOGP
6.74
XLogP3
7.63
Consensus LogP
7.33
Log S (ESOL)
-7.83
Class (ESOL)
Insoluble
Log S (Ali)
-8.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.32
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)
-0.09
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
4
Customers Also Viewed
-
O-(2-tert-butoxyethyl)hydroxylaMine
- CAS RN: 1023742-13-3
- Product Code: starshine_CAS1023742-13-3
- Purity/Analytical method: >99.0%
-
-
2-chloro-8-methyl-9H-purine
- CAS RN: 1023813-16-2
- Product Code: starshine_CAS1023813-16-2
- Purity/Analytical method: >99.0%
-
-
6-Methyl-5-trifluoromethyl-pyridin-2-ylamine
- CAS RN: 1023813-33-3
- Product Code: SSC-003651
-
5,6,7,8-Tetrahydro-[1,8]naphthyridine-3-bromide
- CAS RN: 1023813-80-0
- Product Code: SSC-003654
![CAS 1023813-80-0 5,6,7,8-Tetrahydro-[1,8]naphthyridine-3-bromide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1023813-80-0.gif)