2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
TL;DR: 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) (CAS 52616-29-2) is a chemical compound with molecular formula C19H36B3BrO6 and molecular weight 472.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bromo-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Also Known As: (Z)-4-butoxy-4-oxo-but-2-enoic acid, 2,2',2''-(bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane), 1,2-Dioxaborolane, (bromomethylidyne)tris(3,3,4,4- tetramethyl-, 2-[bromo-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)met, 2-[bromo-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
| Molecular Formula | C19H36B3BrO6 |
|---|---|
| Molecular Weight | 472.20 g/mol |
| LogP | 4.0143 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.19745 |
| Heavy Atoms | 29 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 52616-29-2 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C(B2OC(C(O2)(C)C)(C)C)(B3OC(C(O3)(C)C)(C)C)Br |
| InChIKey | ARVDNRLCJPMGNH-UHFFFAOYSA-N |
Product Overview
2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) (CAS 52616-29-2), with molecular formula C19H36B3BrO6 and molecular weight 472.20 g/mol. IUPAC: 2-[bromo-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
Chemical Property Profile of 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
Property Insights of 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
The XLogP value of 4.0143 indicates that 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)?
The CAS number of 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) is 52616-29-2.
What is the molecular formula of 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)?
The molecular formula of 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) is C19H36B3BrO6.
What is the molecular weight of 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)?
The molecular weight of 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) is 472.20 g/mol.
Where can I buy 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)?
You can request a quote for 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)?
Yes, KEHONG BIO provides custom synthesis services for 2,2',2''-(Bromomethanetriyl)tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.