2-Bromoisovanillin
TL;DR: 2-Bromoisovanillin (CAS 2973-59-3) 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-3-hydroxy-4-methoxybenzaldehyde
Also Known As: 2-Bromo-3-hydroxy-4-methoxybenzaldehyde, 2-Bromoisovanillin, bromovanin, Benzaldehyde, 2-bromo-3-hydroxy-4-methoxy-, 2-Bromo-3-hydroxy-p-anisaldehyde
| Molecular Formula | C8H7BrO3 |
|---|---|
| Molecular Weight | 229.96 g/mol |
| LogP | 1.5 |
| 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 | 2973-59-3 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C=O)Br)O |
| InChIKey | QPDFBPIHEDAUKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromoisovanillin (CAS 2973-59-3), with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol. IUPAC: 2-bromo-3-hydroxy-4-methoxybenzaldehyde.
Chemical Property Profile of 2-Bromoisovanillin
Property Insights of 2-Bromoisovanillin
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromoisovanillin. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Bromoisovanillin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoisovanillin 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 2-Bromoisovanillin?
The CAS number of 2-Bromoisovanillin is 2973-59-3.
What is the molecular formula of 2-Bromoisovanillin?
The molecular formula of 2-Bromoisovanillin is C8H7BrO3.
What is the molecular weight of 2-Bromoisovanillin?
The molecular weight of 2-Bromoisovanillin is 229.96 g/mol.
Where can I buy 2-Bromoisovanillin?
You can request a quote for 2-Bromoisovanillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromoisovanillin?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoisovanillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.