CAS RN: 944392-68-1
Dimethyl 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251222 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260215 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250112 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260215 | 1g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260627 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20251020 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250622 | 25g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250423 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-209259
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: 1g, 5g, 0.25g, 10g
- Available purity: ≥97%
- 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.
944392-68-1 / dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate
Basic Information
CAS
944392-68-1
Multi CAS
Yes
Molecular Formula
BC16H21O6
Molecular Weight
320.100000
Exact Mass
320.143119
InChI
InChI=1S/C16H21BO6/c1-15(2)16(3,4)23-17(22-15)12-8-10(13(18)20-5)7-11(9-12)14(19)21-6/h7-9H,1-6H3
InChIKey
IGSNWXAGFXHYOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
84.84
TPSA
71.06
LogP / Solubility
WLOGP
1.56
MLOGP
1.39
XLogP3
1.56
Consensus LogP
1.5
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 1073339-21-5 2-[2-(Trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t2428-jpgcontextbwfzdgvyfhjvb3r8mzg2mtf8aw1hz2uvanblz3xoyzqvagnklzg5mzi1ote4nje3otavvdi0mjguanbnfddmmwi4zgqwmzjlztfmn2vlntnmmdkwztfhmwmwodq0mtm0ngjjmzzhzte5njuwmjc0y2vhzdixyjjiyjk2zdc.jpeg)
