Vanillin, 6-bromo-
TL;DR: Vanillin, 6-bromo- (CAS 60632-40-8) 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.
2-bromo-4-hydroxy-5-methoxybenzaldehyde
Also Known As: 6-Bromovanillin, 2-BROMO-4-HYDROXY-5-METHOXYBENZALDEHYDE, Vanillin, 6-bromo-, 2-butylpyrrolidine, Vanillin, 6-bromo-,
| 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 | 60632-40-8 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C=O)Br)O |
| InChIKey | FVNRNBGSHCWQPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vanillin, 6-bromo- (CAS 60632-40-8), with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol. IUPAC: 2-bromo-4-hydroxy-5-methoxybenzaldehyde.
Chemical Property Profile of Vanillin, 6-bromo-
Property Insights of Vanillin, 6-bromo-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vanillin, 6-bromo-. With a topological polar surface area (TPSA) of 46.5 Ų, Vanillin, 6-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vanillin, 6-bromo- 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 Vanillin, 6-bromo-?
The CAS number of Vanillin, 6-bromo- is 60632-40-8.
What is the molecular formula of Vanillin, 6-bromo-?
The molecular formula of Vanillin, 6-bromo- is C8H7BrO3.
What is the molecular weight of Vanillin, 6-bromo-?
The molecular weight of Vanillin, 6-bromo- is 229.96 g/mol.
Where can I buy Vanillin, 6-bromo-?
You can request a quote for Vanillin, 6-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vanillin, 6-bromo-?
Yes, KEHONG BIO provides custom synthesis services for Vanillin, 6-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.