5-溴-3,4-二羟基苯甲醛
TL;DR: 5-溴-3,4-二羟基苯甲醛 (CAS 16414-34-9) is a chemical compound with molecular formula C7H5BrO3 and molecular weight 215.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-溴-3,4-二羟基苯甲醛
3-bromo-4,5-dihydroxybenzaldehyde
Also Known As: 3-Bromo-4,5-dihydroxybenzaldehyde, BDB compound, 5-BROMOPROTOCATECHUALDEHYDE, bromodihydroxybenzaldehyde, 5-BROMO-3,4-DIHYDROXYBENZALDEHYDE
| Molecular Formula | C7H5BrO3 |
|---|---|
| Molecular Weight | 215.94 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.94221 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 16414-34-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)Br)C=O |
| InChIKey | GVSGSHGXUXLQNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-溴-3,4-二羟基苯甲醛 (CAS 16414-34-9), with molecular formula C7H5BrO3 and molecular weight 215.94 g/mol. IUPAC: 3-bromo-4,5-dihydroxybenzaldehyde.
Chemical Property Profile of 5-溴-3,4-二羟基苯甲醛
Property Insights of 5-溴-3,4-二羟基苯甲醛
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-溴-3,4-二羟基苯甲醛. With a topological polar surface area (TPSA) of 57.5 Ų, 5-溴-3,4-二羟基苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-溴-3,4-二羟基苯甲醛 has 2 hydrogen bond donor(s) and 3 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 5-溴-3,4-二羟基苯甲醛?
The CAS number of 5-溴-3,4-二羟基苯甲醛 is 16414-34-9.
What is the molecular formula of 5-溴-3,4-二羟基苯甲醛?
The molecular formula of 5-溴-3,4-二羟基苯甲醛 is C7H5BrO3.
What is the molecular weight of 5-溴-3,4-二羟基苯甲醛?
The molecular weight of 5-溴-3,4-二羟基苯甲醛 is 215.94 g/mol.
Where can I buy 5-溴-3,4-二羟基苯甲醛?
You can request a quote for 5-溴-3,4-二羟基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-溴-3,4-二羟基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 5-溴-3,4-二羟基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.