3-(Pentabromophenoxy)propane-1,2-diol
TL;DR: 3-(Pentabromophenoxy)propane-1,2-diol (CAS 75734-94-0) is a chemical compound with molecular formula C9H7Br5O3 and molecular weight 557.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3,4,5,6-pentabromophenoxy)propane-1,2-diol
Also Known As: 3- propane-1,2-diol, 3-(Pentabromophenoxy)propane-1,2-diol, EINECS 278-298-9, 3-(Pentabromophenoxy)-1,2-propanediol, 3-(2,3,4,5,6-pentabromophenoxy)propane-1,2-diol
| Molecular Formula | C9H7Br5O3 |
|---|---|
| Molecular Weight | 557.63 g/mol |
| LogP | 4.2311 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 557.6312 |
| Heavy Atoms | 17 |
| Complexity | 394.57773 |
Chemical Identifiers
| CAS Number | 75734-94-0 |
|---|---|
| SMILES | C(C(COC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O)O |
Product Overview
3-(Pentabromophenoxy)propane-1,2-diol (CAS 75734-94-0), with molecular formula C9H7Br5O3 and molecular weight 557.63 g/mol. IUPAC: 3-(2,3,4,5,6-pentabromophenoxy)propane-1,2-diol.
Chemical Property Profile of 3-(Pentabromophenoxy)propane-1,2-diol
Property Insights of 3-(Pentabromophenoxy)propane-1,2-diol
The XLogP value of 4.2311 indicates that 3-(Pentabromophenoxy)propane-1,2-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.69 Ų, 3-(Pentabromophenoxy)propane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pentabromophenoxy)propane-1,2-diol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Pentabromophenoxy)propane-1,2-diol?
The CAS number of 3-(Pentabromophenoxy)propane-1,2-diol is 75734-94-0.
What is the molecular formula of 3-(Pentabromophenoxy)propane-1,2-diol?
The molecular formula of 3-(Pentabromophenoxy)propane-1,2-diol is C9H7Br5O3.
What is the molecular weight of 3-(Pentabromophenoxy)propane-1,2-diol?
The molecular weight of 3-(Pentabromophenoxy)propane-1,2-diol is 557.63 g/mol.
Where can I buy 3-(Pentabromophenoxy)propane-1,2-diol?
You can request a quote for 3-(Pentabromophenoxy)propane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pentabromophenoxy)propane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pentabromophenoxy)propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.