![CAS 1381960-58-2 4,4,5,5-TetraMethyl-2-[4-(4-Methylphenyl)phenyl]-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1381960-58-2.gif)
CAS RN: 1381960-58-2
4,4,5,5-TetraMethyl-2-[4-(4-Methylphenyl)phenyl]-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.20250715 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1381960-58-2
- Purity/Analytical Methods: >99.0%
1381960-58-2 / 4,4,5,5-tetramethyl-2-[4-(4-methylphenyl)phenyl]-1,3,2-dioxaborolane
Basic Information
CAS
1381960-58-2
Multi CAS
No
Molecular Formula
C19H23BO2
Molecular Weight
294.200000
Exact Mass
294.179110
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H23BO2/c1-14-6-8-15(9-7-14)16-10-12-17(13-11-16)20-21-18(2,3)19(4,5)22-20/h6-13H,1-5H3
InChIKey
ZATGPSLHJMDVSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
92.33
TPSA
18.46
LogP / Solubility
WLOGP
3.96
MLOGP
3.5
XLogP3
3.96
Consensus LogP
3.81
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
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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