5-Hydroxyisoavrainvilleol
TL;DR: 5-Hydroxyisoavrainvilleol (CAS 111537-53-2) is a chemical compound with molecular formula C14H12Br2O5 and molecular weight 417.90515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol
Also Known As: 5-Hydroxyisoavrainvilleol, 3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol, 3-Bromo-4-((3-bromo-4,5-dihydroxyphenyl)methyl)-5-(hydroxymethyl)-1,2-benzenediol, 1,2-Benzenediol, 3-bromo-4-((3-bromo-4,5-dihydroxyphenyl)methyl)-5-(hydroxymethyl)-, 1,2-Benzenediol,3-bromo-4-((3-bromo-4,5-dihydroxyphenyl)methyl)-5-(hydroxymethyl)
Technical Specifications
| Molecular Formula | C14H12Br2O5 |
| Molecular Weight | 417.90515 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.90515 Da |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
| SMILES | C1=C(C=C(C(=C1O)O)Br)CC2=C(C(=C(C=C2CO)O)O)Br |
| InChIKey | SEXYDDXUERLOFL-UHFFFAOYSA-N |
Chemical Property Profile of 5-Hydroxyisoavrainvilleol
Property Insights of 5-Hydroxyisoavrainvilleol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxyisoavrainvilleol. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxyisoavrainvilleol. Following Lipinski's Rule of Five, 5-Hydroxyisoavrainvilleol has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Hydroxyisoavrainvilleol?
The CAS number of 5-Hydroxyisoavrainvilleol is 111537-53-2.
What is the molecular formula of 5-Hydroxyisoavrainvilleol?
The molecular formula of 5-Hydroxyisoavrainvilleol is C14H12Br2O5.
What is the molecular weight of 5-Hydroxyisoavrainvilleol?
The molecular weight of 5-Hydroxyisoavrainvilleol is 417.90515 g/mol.
Where can I buy 5-Hydroxyisoavrainvilleol?
You can request a quote for 5-Hydroxyisoavrainvilleol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Hydroxyisoavrainvilleol?
Yes, CoreyChem provides custom synthesis services for 5-Hydroxyisoavrainvilleol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.