1,3,3',5'-Tetrabromophlorhizin
TL;DR: 1,3,3',5'-Tetrabromophlorhizin (CAS 86158-06-7) is a chemical compound with molecular formula C21H20Br4O10 and molecular weight 747.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one
Also Known As: Tetrabromophlorizin, 1,3,3',5'-Tetrabromophlorhizin, J1.328.490C, 1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one, 1-Propanone, 1-(3,5-dibromo-2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(3,5-dibromo-4-hydroxyphenyl)-
| Molecular Formula | C21H20Br4O10 |
|---|---|
| Molecular Weight | 747.78 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 747.779 |
| Heavy Atoms | 35 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 86158-06-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)O)Br)CCC(=O)C2=C(C(=C(C(=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Br)O)Br)O |
| InChIKey | FINNPFQSLRPSQZ-CFNLRIOXSA-N |
Product Overview
1,3,3',5'-Tetrabromophlorhizin (CAS 86158-06-7), with molecular formula C21H20Br4O10 and molecular weight 747.78 g/mol. IUPAC: 1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3,5-dibromo-4-hydroxyphenyl)propan-1-one.
Chemical Property Profile of 1,3,3',5'-Tetrabromophlorhizin
Property Insights of 1,3,3',5'-Tetrabromophlorhizin
The XLogP value of 3.6 indicates that 1,3,3',5'-Tetrabromophlorhizin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting 1,3,3',5'-Tetrabromophlorhizin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,3',5'-Tetrabromophlorhizin has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,3',5'-Tetrabromophlorhizin?
The CAS number of 1,3,3',5'-Tetrabromophlorhizin is 86158-06-7.
What is the molecular formula of 1,3,3',5'-Tetrabromophlorhizin?
The molecular formula of 1,3,3',5'-Tetrabromophlorhizin is C21H20Br4O10.
What is the molecular weight of 1,3,3',5'-Tetrabromophlorhizin?
The molecular weight of 1,3,3',5'-Tetrabromophlorhizin is 747.78 g/mol.
Where can I buy 1,3,3',5'-Tetrabromophlorhizin?
You can request a quote for 1,3,3',5'-Tetrabromophlorhizin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3',5'-Tetrabromophlorhizin?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3',5'-Tetrabromophlorhizin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.