![CAS 446311-34-8 2-[4-(4-Methoxyphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/446311-34-8.gif)
CAS RN: 446311-34-8
2-[4-(4-Methoxyphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260421 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS446311-34-8
- Purity/Analytical Methods: >99.0%
446311-34-8 / 2-[4-(4-methoxyphenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
446311-34-8
Multi CAS
No
Molecular Formula
BC19H23O3
Molecular Weight
310.200000
Exact Mass
310.174025
InChI
InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-6-14(7-11-16)15-8-12-17(21-5)13-9-15/h6-13H,1-5H3
InChIKey
XIWRWTPGYBTKPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
94.15
TPSA
27.69
LogP / Solubility
WLOGP
3.66
MLOGP
3.24
XLogP3
3.66
Consensus LogP
3.52
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
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)
-2.01
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
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