1,3,3'-Tribromophlorhizin
TL;DR: 1,3,3'-Tribromophlorhizin (CAS 86158-07-8) is a chemical compound with molecular formula C21H21Br3O10 and molecular weight 669.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
Also Known As: 1,3,3'-Tribromophlorizin, 1,3,3'-Tribromophlorhizin, 3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one, 1-Propanone, 3-(3-bromo-4-hydroxyphenyl)-1-(3,5-dibromo-2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-, 2,4-Dibromo-6-[3-(3-bromo-4-hydroxyphenyl)propanoyl]-3,5-dihydroxyphenyl hexopyranoside
| Molecular Formula | C21H21Br3O10 |
|---|---|
| Molecular Weight | 669.87 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 669.86847 |
| Heavy Atoms | 34 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 86158-07-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCC(=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)Br)O |
| InChIKey | OJNFYFAITKSYKH-KWFTXZDRSA-N |
Product Overview
1,3,3'-Tribromophlorhizin (CAS 86158-07-8), with molecular formula C21H21Br3O10 and molecular weight 669.87 g/mol. IUPAC: 3-(3-bromo-4-hydroxyphenyl)-1-[3,5-dibromo-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one.
Chemical Property Profile of 1,3,3'-Tribromophlorhizin
Property Insights of 1,3,3'-Tribromophlorhizin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3'-Tribromophlorhizin. The TPSA of 177.0 Ų indicates high polarity, suggesting 1,3,3'-Tribromophlorhizin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,3'-Tribromophlorhizin 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'-Tribromophlorhizin?
The CAS number of 1,3,3'-Tribromophlorhizin is 86158-07-8.
What is the molecular formula of 1,3,3'-Tribromophlorhizin?
The molecular formula of 1,3,3'-Tribromophlorhizin is C21H21Br3O10.
What is the molecular weight of 1,3,3'-Tribromophlorhizin?
The molecular weight of 1,3,3'-Tribromophlorhizin is 669.87 g/mol.
Where can I buy 1,3,3'-Tribromophlorhizin?
You can request a quote for 1,3,3'-Tribromophlorhizin 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'-Tribromophlorhizin?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3'-Tribromophlorhizin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.