Tris(3,4-dibromobutyl)phosphate
TL;DR: Tris(3,4-dibromobutyl)phosphate (CAS 12506-18-2) is a chemical compound with molecular formula C12H21Br6O4P and molecular weight 733.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(3,4-dibromobutyl) phosphate
Also Known As: Tris(3,4-dibromobutyl)phosphate, tris(3,4-dibromobutyl) phosphate, Tris(3,4-dibromo-2-butyl)phosphate, 1-Butanol, 3,4-dibromo-, phosphate (3:1), 5-(Phenylmethoxy)-1-(phenylsulfonyl)-2-pyrrolidinone
| Molecular Formula | C12H21Br6O4P |
|---|---|
| Molecular Weight | 733.63 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 733.62775 |
| Heavy Atoms | 23 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 12506-18-2 |
|---|---|
| SMILES | C(COP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)C(CBr)Br |
| InChIKey | XTMZLPXHFVUXSA-UHFFFAOYSA-N |
Product Overview
Tris(3,4-dibromobutyl)phosphate (CAS 12506-18-2), with molecular formula C12H21Br6O4P and molecular weight 733.63 g/mol. IUPAC: tris(3,4-dibromobutyl) phosphate.
Chemical Property Profile of Tris(3,4-dibromobutyl)phosphate
Property Insights of Tris(3,4-dibromobutyl)phosphate
The XLogP value of 5.3 indicates that Tris(3,4-dibromobutyl)phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Tris(3,4-dibromobutyl)phosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tris(3,4-dibromobutyl)phosphate 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 Tris(3,4-dibromobutyl)phosphate?
The CAS number of Tris(3,4-dibromobutyl)phosphate is 12506-18-2.
What is the molecular formula of Tris(3,4-dibromobutyl)phosphate?
The molecular formula of Tris(3,4-dibromobutyl)phosphate is C12H21Br6O4P.
What is the molecular weight of Tris(3,4-dibromobutyl)phosphate?
The molecular weight of Tris(3,4-dibromobutyl)phosphate is 733.63 g/mol.
Where can I buy Tris(3,4-dibromobutyl)phosphate?
You can request a quote for Tris(3,4-dibromobutyl)phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(3,4-dibromobutyl)phosphate?
Yes, KEHONG BIO provides custom synthesis services for Tris(3,4-dibromobutyl)phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.