CAS RN: 2246858-23-9
4,4,5,5-Tetramethyl-2-(4-(propylthiomethyl)phenyl)-1,3,2-dioxaborolane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250522 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2246858-23-9
- Purity/Analytical Methods: >99.0%
2246858-23-9 / 4,4,5,5-tetramethyl-2-[4-(propylsulfanylmethyl)phenyl]-1,3,2-dioxaborolane
Basic Information
CAS
2246858-23-9
Multi CAS
No
Molecular Formula
C16H25BO2S
Molecular Weight
292.200000
Exact Mass
292.166831
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CSCCC
InChI
InChI=1S/C16H25BO2S/c1-6-11-20-12-13-7-9-14(10-8-13)17-18-15(2,3)16(4,5)19-17/h7-10H,6,11-12H2,1-5H3
InChIKey
RWXOJPUWDLXNJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
88.61
TPSA
18.46
LogP / Solubility
WLOGP
3.63
MLOGP
3.2
XLogP3
3.63
Consensus LogP
3.49
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93
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
1.5
Customers Also Viewed
-
2-(4-((3-bromophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 2246874-83-7
- Product Code: starshine_CAS2246874-83-7
- Purity/Analytical method: >99.0%
-
2-((1,4-dioxaspiro[4.5]decan-8-ylidene)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 2246878-23-7
- Product Code: starshine_CAS2246878-23-7
- Purity/Analytical method: >99.0%
-
2-(3,4-Dihydro-2H-1,5-benzodioxepin-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 2246880-24-8
- Product Code: starshine_CAS2246880-24-8
- Purity/Analytical method: >99.0%
-
4-[2-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxymethyl]-benzonitrile
- CAS RN: 2246880-79-3
- Product Code: SSC-109794
-
1,3,2-Dioxaborolane, 2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-
- CAS RN: 2246887-57-8
- Product Code: SSC-109798
-
2-(3-((3-bromophenoxy)methyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 2246887-71-6
- Product Code: starshine_CAS2246887-71-6
- Purity/Analytical method: >99.0%
![CAS 2246878-23-7 2-((1,4-dioxaspiro[4.5]decan-8-ylidene)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246878-23-7.gif)
![CAS 2246880-79-3 4-[2-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxymethyl]-benzonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246880-79-3.gif)
![CAS 2246887-57-8 1,3,2-Dioxaborolane, 2-[4-[(3-chlorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246887-57-8.gif)
