3,3',5,5'-Tetrabromobisphenol A bispropionate
TL;DR: 3,3',5,5'-Tetrabromobisphenol A bispropionate (CAS 37419-42-4) is a chemical compound with molecular formula C21H20Br4O4 and molecular weight 651.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-dibromo-4-[2-(3,5-dibromo-4-propanoyloxyphenyl)propan-2-yl]phenyl] propanoate
Also Known As: 3,3',5,5'-Tetrabromobisphenol A bispropionate, (Propane-2,2-diyl)bis(2,6-dibromo-4,1-phenylene) dipropanoate, [2,6-dibromo-4-[2-(3,5-dibromo-4-propanoyloxy-phenyl)propan-2-yl]phenyl] Propanoate, [2,6-dibromo-4-[2-(3,5-dibromo-4-propanoyloxyphenyl)propan-2-yl]phenyl] propanoate
| Molecular Formula | C21H20Br4O4 |
|---|---|
| Molecular Weight | 651.81 g/mol |
| LogP | 7.6933 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 651.8095 |
| Heavy Atoms | 29 |
| Complexity | 832.1827 |
Chemical Identifiers
| CAS Number | 37419-42-4 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=C(C=C1Br)C(C)(C)C2=CC(=C(C(=C2)Br)OC(=O)CC)Br)Br |
Product Overview
3,3',5,5'-Tetrabromobisphenol A bispropionate (CAS 37419-42-4), with molecular formula C21H20Br4O4 and molecular weight 651.81 g/mol. IUPAC: [2,6-dibromo-4-[2-(3,5-dibromo-4-propanoyloxyphenyl)propan-2-yl]phenyl] propanoate.
Chemical Property Profile of 3,3',5,5'-Tetrabromobisphenol A bispropionate
Property Insights of 3,3',5,5'-Tetrabromobisphenol A bispropionate
The XLogP value of 7.6933 indicates that 3,3',5,5'-Tetrabromobisphenol A bispropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3,3',5,5'-Tetrabromobisphenol A bispropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3',5,5'-Tetrabromobisphenol A bispropionate 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 3,3',5,5'-Tetrabromobisphenol A bispropionate?
The CAS number of 3,3',5,5'-Tetrabromobisphenol A bispropionate is 37419-42-4.
What is the molecular formula of 3,3',5,5'-Tetrabromobisphenol A bispropionate?
The molecular formula of 3,3',5,5'-Tetrabromobisphenol A bispropionate is C21H20Br4O4.
What is the molecular weight of 3,3',5,5'-Tetrabromobisphenol A bispropionate?
The molecular weight of 3,3',5,5'-Tetrabromobisphenol A bispropionate is 651.81 g/mol.
Where can I buy 3,3',5,5'-Tetrabromobisphenol A bispropionate?
You can request a quote for 3,3',5,5'-Tetrabromobisphenol A bispropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3',5,5'-Tetrabromobisphenol A bispropionate?
Yes, KEHONG BIO provides custom synthesis services for 3,3',5,5'-Tetrabromobisphenol A bispropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.