6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone
TL;DR: 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone (CAS 40838-32-2) is a chemical compound with molecular formula C6H5BrO4 and molecular weight 219.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-hydroxy-6-(hydroxymethyl)pyran-4-one
Also Known As: 2-Bromokojic acid, 6-Bromokojic acid, 6-bromo-5-HOHMeP, 6-BROMO-5-HYDROXY-2-HYDROXYMETHYL-4-PYRANONE, 2-bromo-3-hydroxy-6-(hydroxymethyl)pyran-4-one
| Molecular Formula | C6H5BrO4 |
|---|---|
| Molecular Weight | 219.94 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.93712 |
| Heavy Atoms | 11 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 40838-32-2 |
|---|---|
| SMILES | C1=C(OC(=C(C1=O)O)Br)CO |
| InChIKey | XGQIEZNKWVGLRJ-UHFFFAOYSA-N |
Product Overview
6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone (CAS 40838-32-2), with molecular formula C6H5BrO4 and molecular weight 219.94 g/mol. IUPAC: 2-bromo-3-hydroxy-6-(hydroxymethyl)pyran-4-one.
Chemical Property Profile of 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone
Property Insights of 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone. Following Lipinski's Rule of Five, 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone?
The CAS number of 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone is 40838-32-2.
What is the molecular formula of 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone?
The molecular formula of 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone is C6H5BrO4.
What is the molecular weight of 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone?
The molecular weight of 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone is 219.94 g/mol.
Where can I buy 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone?
You can request a quote for 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-5-hydroxy-2-hydroxymethyl-4-pyranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.