5-溴香草酸
TL;DR: 5-溴香草酸 (CAS 6324-52-3) is a chemical compound with molecular formula C8H7BrO4 and molecular weight 245.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-溴香草酸
3-bromo-4-hydroxy-5-methoxybenzoic acid
Also Known As: 5-Bromovanillic acid, 3-Bromo-4-hydroxy-5-methoxybenzoic acid, 5-bromovanillicacid, 3-Bromo-4-hydroxy-5-methoxy-benzoic acid, Benzoic acid, 3-bromo-4-hydroxy-5-methoxy-
| Molecular Formula | C8H7BrO4 |
|---|---|
| Molecular Weight | 245.95 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.95277 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 6324-52-3 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C(=O)O)Br)O |
| InChIKey | FGOVBTMEPVEFCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-溴香草酸 (CAS 6324-52-3), with molecular formula C8H7BrO4 and molecular weight 245.95 g/mol. IUPAC: 3-bromo-4-hydroxy-5-methoxybenzoic acid.
Chemical Property Profile of 5-溴香草酸
Property Insights of 5-溴香草酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-溴香草酸. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-溴香草酸. Following Lipinski's Rule of Five, 5-溴香草酸 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 5-溴香草酸?
The CAS number of 5-溴香草酸 is 6324-52-3.
What is the molecular formula of 5-溴香草酸?
The molecular formula of 5-溴香草酸 is C8H7BrO4.
What is the molecular weight of 5-溴香草酸?
The molecular weight of 5-溴香草酸 is 245.95 g/mol.
Where can I buy 5-溴香草酸?
You can request a quote for 5-溴香草酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-溴香草酸?
Yes, KEHONG BIO provides custom synthesis services for 5-溴香草酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.