![CAS 267221-89-6 Phenyl-bis-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/267221-89-6.gif)
CAS RN: 267221-89-6
Phenyl-bis-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260119 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251027 | 1g | In stock | Shenzhen | Inquiry |
| Batchno.20250103 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250207 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260223 | 5g | In stock | Shenzhen, Tianjin | Inquiry |
- Product code: starshine_CAS267221-89-6
- Purity/Analytical Methods: >99.0%
267221-89-6 / N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
Basic Information
CAS
267221-89-6
Multi CAS
No
Molecular Formula
C30H37B2NO4
Molecular Weight
497.200000
Exact Mass
497.290869
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)B5OC(C(O5)(C)C)(C)C
InChI
InChI=1S/C30H37B2NO4/c1-27(2)28(3,4)35-31(34-27)22-14-18-25(19-15-22)33(24-12-10-9-11-13-24)26-20-16-23(17-21-26)32-36-29(5,6)30(7,8)37-32/h9-21H,1-8H3
InChIKey
YHJHDKVUNWSDNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
152.56
TPSA
40.16
LogP / Solubility
WLOGP
5.75
MLOGP
5.1
XLogP3
5.75
Consensus LogP
5.53
Log S (ESOL)
-6.58
Class (ESOL)
Insoluble
Log S (Ali)
-7.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.27
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 267230-41-1 1,3-Pyrrolidinedicarboxylic acid, 4-[[(1R)-1-phenylethyl]aMino]-, 1-(1,1-diMethylethyl) 3-ethyl ester, hydrochloride (1:1), (3R,4S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/267230-41-1.gif)
