1,3-二溴-2-丙醇磷酸酯(3:1)
TL;DR: 1,3-二溴-2-丙醇磷酸酯(3:1) (CAS 18713-51-4) is a chemical compound with molecular formula C9H15Br6O4P and molecular weight 691.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二溴-2-丙醇磷酸酯(3:1)
tris(1,3-dibromopropan-2-yl) phosphate
Also Known As: tris(1,3-dibromopropan-2-yl) phosphate, Tris(1-bromomethyl-2-bromoethyl)phosphate, 2-Propanol, 1,3-dibromo-, phosphate (3:1), TRIS(1,3-DIBROMO-2-PROPYL)PHOSPHATE, Phosphoric acid tris(1-bromomethyl-2-bromoethyl)
| Molecular Formula | C9H15Br6O4P |
|---|---|
| Molecular Weight | 691.58 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 697.57465 |
| Heavy Atoms | 20 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 18713-51-4 |
|---|---|
| SMILES | C(C(CBr)OP(=O)(OC(CBr)CBr)OC(CBr)CBr)Br |
| InChIKey | RZEYUZWXPABTCN-UHFFFAOYSA-N |
Product Overview
1,3-二溴-2-丙醇磷酸酯(3:1) (CAS 18713-51-4), with molecular formula C9H15Br6O4P and molecular weight 691.58 g/mol. IUPAC: tris(1,3-dibromopropan-2-yl) phosphate.
Chemical Property Profile of 1,3-二溴-2-丙醇磷酸酯(3:1)
Property Insights of 1,3-二溴-2-丙醇磷酸酯(3:1)
The XLogP value of 4.3 indicates that 1,3-二溴-2-丙醇磷酸酯(3:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-二溴-2-丙醇磷酸酯(3:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-二溴-2-丙醇磷酸酯(3:1) 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 1,3-二溴-2-丙醇磷酸酯(3:1)?
The CAS number of 1,3-二溴-2-丙醇磷酸酯(3:1) is 18713-51-4.
What is the molecular formula of 1,3-二溴-2-丙醇磷酸酯(3:1)?
The molecular formula of 1,3-二溴-2-丙醇磷酸酯(3:1) is C9H15Br6O4P.
What is the molecular weight of 1,3-二溴-2-丙醇磷酸酯(3:1)?
The molecular weight of 1,3-二溴-2-丙醇磷酸酯(3:1) is 691.58 g/mol.
Where can I buy 1,3-二溴-2-丙醇磷酸酯(3:1)?
You can request a quote for 1,3-二溴-2-丙醇磷酸酯(3:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二溴-2-丙醇磷酸酯(3:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二溴-2-丙醇磷酸酯(3:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.