![CAS 1813554-34-5 1,3,2-Dioxaborolane, 2-[4-[(3-methoxyphenyl)methoxy]phenyl]-4,4,5,5-tetramethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1813554-34-5.gif)
CAS RN: 1813554-34-5
1,3,2-Dioxaborolane, 2-[4-[(3-methoxyphenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-
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.20260526 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-082455
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 | Shenzhen | Inquiry |
1813554-34-5 / 2-[4-[(3-methoxyphenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
1813554-34-5
Multi CAS
No
Molecular Formula
C20H25BO4
Molecular Weight
340.200000
Exact Mass
340.184589
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC3=CC(=CC=C3)OC
InChI
InChI=1S/C20H25BO4/c1-19(2)20(3,4)25-21(24-19)16-9-11-17(12-10-16)23-14-15-7-6-8-18(13-15)22-5/h6-13H,14H2,1-5H3
InChIKey
XJYXAJWGLVWRCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
99.48
TPSA
36.92
LogP / Solubility
WLOGP
3.57
MLOGP
3.16
XLogP3
3.57
Consensus LogP
3.43
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26
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
2.5
Customers Also Viewed
-
![CAS 1813554-40-3 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-
- CAS RN: 1813554-40-3
- Product Code: SSC-082456
-
Benzonitrile, 3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]-
- CAS RN: 1813554-44-7
- Product Code: SSC-082458
-
2-[4-(9,9-diphenyl-9H-fluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 1813574-72-9
- Product Code: starshine_CAS1813574-72-9
- Purity/Analytical method: >99.0%
-
Pyrazine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-
- CAS RN: 1814890-52-2
- Product Code: starshine_CAS1814890-52-2
- Purity/Analytical method: >99.0%
-
-
![CAS 1813554-40-3 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1813554-40-3.gif)
![CAS 1813554-44-7 Benzonitrile, 3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1813554-44-7.gif)
![CAS 1813574-72-9 2-[4-(9,9-diphenyl-9H-fluoren-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1813574-72-9.gif)
![CAS 1814890-52-2 Pyrazine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1814890-52-2.gif)
