5-溴香草素
TL;DR: 5-溴香草素 (CAS 2973-76-4) is a chemical compound with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-溴香草素
3-bromo-4-hydroxy-5-methoxybenzaldehyde
Also Known As: 5-BROMOVANILLIN, 3-Bromo-4-hydroxy-5-methoxybenzaldehyde, Vanillin, 5-bromo-, bromovanillin, 5-bromovaniline
| Molecular Formula | C8H7BrO3 |
|---|---|
| Molecular Weight | 229.96 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.95786 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 2973-76-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=O)Br)O |
| InChIKey | KLSHZDPXXKAHIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-溴香草素 (CAS 2973-76-4), with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol. IUPAC: 3-bromo-4-hydroxy-5-methoxybenzaldehyde.
Chemical Property Profile of 5-溴香草素
Property Insights of 5-溴香草素
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-溴香草素. With a topological polar surface area (TPSA) of 46.5 Ų, 5-溴香草素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-溴香草素 has 1 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-溴香草素?
The CAS number of 5-溴香草素 is 2973-76-4.
What is the molecular formula of 5-溴香草素?
The molecular formula of 5-溴香草素 is C8H7BrO3.
What is the molecular weight of 5-溴香草素?
The molecular weight of 5-溴香草素 is 229.96 g/mol.
Where can I buy 5-溴香草素?
You can request a quote for 5-溴香草素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-溴香草素?
Yes, KEHONG BIO provides custom synthesis services for 5-溴香草素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.