![CAS 932378-94-4 [3,5-Bis(ethoxycarbonyl)phenyl]boronic Acid (contains varying amounts of Anhydride) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b6032-jpgcontextbwfzdgvyfhjvb3r8mjg3ntl8aw1hz2uvanblz3xoyjavagi3lzg5mjkymjc4otg5mtavqjywmziuanbnfdnknwflmzi1owyxymq5yjflzwe3ytllnzhlnji5n2iwywzjntuwzwizzdczode1nwe4ntbiyzzizdewnze3ndm.jpeg)
CAS RN: 932378-94-4
[3,5-Bis(ethoxycarbonyl)phenyl]boronic Acid (contains varying amounts of Anhydride)
- Product code: SSC-207237
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 |
932378-94-4 / [3,5-bis(ethoxycarbonyl)phenyl]boronic acid
Basic Information
CAS
932378-94-4
Multi CAS
No
Molecular Formula
BC12H15O6
Molecular Weight
266.060000
Exact Mass
266.096168
InChI
InChI=1S/C12H15BO6/c1-3-18-11(14)8-5-9(12(15)19-4-2)7-10(6-8)13(16)17/h5-7,16-17H,3-4H2,1-2H3
InChIKey
XXBGYFGJSMAOSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
68.18
TPSA
93.06
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.24
XLogP3
-0.28
Consensus LogP
-0.27
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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