CAS RN: 444289-55-8
3-((4-((4-butylphenyl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)amino)phenyl)(methyl)bo
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250403 | 10g | Out of stock | Inquiry | ||
| Batchno.20250429 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20251224 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250210 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batchno.20250316 | 5g | In stock | Shenzhen | Inquiry |
- Product code: starshine_CAS444289-55-8
- Purity/Analytical Methods: >99.0%
444289-55-8 / N-(4-butylphenyl)-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
444289-55-8
Multi CAS
No
Molecular Formula
B2C34H45NO4
Molecular Weight
553.400000
Exact Mass
553.353469
InChI
InChI=1S/C34H45B2NO4/c1-10-11-12-25-13-19-28(20-14-25)37(29-21-15-26(16-22-29)35-38-31(2,3)32(4,5)39-35)30-23-17-27(18-24-30)36-40-33(6,7)34(8,9)41-36/h13-24H,10-12H2,1-9H3
InChIKey
MRMUIYADKDRHAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
18
Fraction Csp3
0.47
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
171.17
TPSA
40.16
LogP / Solubility
WLOGP
7.1
MLOGP
6.29
XLogP3
7.1
Consensus LogP
6.83
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-9.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.11
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.06
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
Benzeneethanol, 4-fluoro-alpha-methyl- (9CI)
- CAS RN: 444308-32-1
- Product Code: SSC-152445
-
(11bR)-8,9,10,11,12,13,14,15-octahydro-N,N-diMethyl-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-aMine
- CAS RN: 444311-00-6
- Product Code: SSC-152446
-
-
PSS-(3-GLYCIDYL)PROPOXY-HEPTAISOBUTYL S&
- CAS RN: 444315-17-7
- Product Code: starshine_CAS444315-17-7
- Purity/Analytical method: >99.0%
-
PSS-VINYL-HEPTAISOBUTYL SUBSTITUTED
- CAS RN: 444315-18-8
- Product Code: starshine_CAS444315-18-8
- Purity/Analytical method: >99.0%
-
2-CHLORO-N-(2-CHLORO-4,6-DIMETHYLPHENYL)ACETAMIDE
- CAS RN: 444325-43-3
- Product Code: SSC-152450
![CAS 444311-00-6 (11bR)-8,9,10,11,12,13,14,15-octahydro-N,N-diMethyl-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/444311-00-6.gif)
