CAS RN: 857934-82-8
2-(2-Iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Product code: SSC-194416
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 |
857934-82-8 / 2-(2-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
857934-82-8
Multi CAS
No
Molecular Formula
BC12H16IO2
Molecular Weight
329.970000
Exact Mass
330.028810
InChI
InChI=1S/C12H16BIO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,1-4H3
InChIKey
HSQZIRZPACYGJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
74.88
TPSA
18.46
LogP / Solubility
WLOGP
2.59
MLOGP
2.3
XLogP3
2.59
Consensus LogP
2.49
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
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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![CAS 680596-79-6 8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-7-ene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3566-jpgcontextbwfzdgvyfhjvb3r8mzq2odv8aw1hz2uvanblz3xom2uvadnilzg5mzi3mtq2mta3mtgvvdm1njyuanbnfduynmrmmje5njriowi1ndc2mtazyjk0mmvmztaxntk3yza5nmjlmdgwmjbhmdewntq5ngrjzwe3njiyztrmyzk.jpeg)
