三(3-甲基-2,3-二溴丁基)磷酸酯
TL;DR: 三(3-甲基-2,3-二溴丁基)磷酸酯 (CAS 12505-63-4) is a chemical compound with molecular formula C15H27Br6O4P and molecular weight 775.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三(3-甲基-2,3-二溴丁基)磷酸酯
tris(2,3-dibromo-3-methylbutyl) phosphate
Also Known As: Tris(3-methyl-2,3-dibromobutyl)phosphate, tris(2,3-dibromo-3-methylbutyl) phosphate, tris-(2,3-dibrom-3-methylbutyl)-phosphat, 1-Butanol, 2,3-dibromo-3-methyl-, phosphate (3:1), 1-Butanol,2,3-dibromo-3-methyl-, phosphate (3:1) (9CI)
| Molecular Formula | C15H27Br6O4P |
|---|---|
| Molecular Weight | 775.67 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 775.67474 |
| Heavy Atoms | 26 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 12505-63-4 |
|---|---|
| SMILES | CC(C)(C(COP(=O)(OCC(C(C)(C)Br)Br)OCC(C(C)(C)Br)Br)Br)Br |
| InChIKey | JZVSPOUYGLZKQW-UHFFFAOYSA-N |
Product Overview
三(3-甲基-2,3-二溴丁基)磷酸酯 (CAS 12505-63-4), with molecular formula C15H27Br6O4P and molecular weight 775.67 g/mol. IUPAC: tris(2,3-dibromo-3-methylbutyl) phosphate.
Chemical Property Profile of 三(3-甲基-2,3-二溴丁基)磷酸酯
Property Insights of 三(3-甲基-2,3-二溴丁基)磷酸酯
The XLogP value of 6.1 indicates that 三(3-甲基-2,3-二溴丁基)磷酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 三(3-甲基-2,3-二溴丁基)磷酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三(3-甲基-2,3-二溴丁基)磷酸酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 三(3-甲基-2,3-二溴丁基)磷酸酯?
The CAS number of 三(3-甲基-2,3-二溴丁基)磷酸酯 is 12505-63-4.
What is the molecular formula of 三(3-甲基-2,3-二溴丁基)磷酸酯?
The molecular formula of 三(3-甲基-2,3-二溴丁基)磷酸酯 is C15H27Br6O4P.
What is the molecular weight of 三(3-甲基-2,3-二溴丁基)磷酸酯?
The molecular weight of 三(3-甲基-2,3-二溴丁基)磷酸酯 is 775.67 g/mol.
Where can I buy 三(3-甲基-2,3-二溴丁基)磷酸酯?
You can request a quote for 三(3-甲基-2,3-二溴丁基)磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三(3-甲基-2,3-二溴丁基)磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 三(3-甲基-2,3-二溴丁基)磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.