4-Bromocatechol
TL;DR: 4-Bromocatechol (CAS 17345-77-6) is a chemical compound with molecular formula C6H5BrO2 and molecular weight 187.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromobenzene-1,2-diol
Also Known As: 4-BROMOCATECHOL, 4-bromobenzene-1,2-diol, 4-Bromopyrocatechol, 1,2-Benzenediol, 4-bromo-, 4-Bromo-1,2-benzenediol
| Molecular Formula | C6H5BrO2 |
|---|---|
| Molecular Weight | 187.95 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.9473 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 17345-77-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)O)O |
| InChIKey | AQVKHRQMAUJBBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromocatechol (CAS 17345-77-6), with molecular formula C6H5BrO2 and molecular weight 187.95 g/mol. IUPAC: 4-bromobenzene-1,2-diol.
Chemical Property Profile of 4-Bromocatechol
Property Insights of 4-Bromocatechol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromocatechol. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Bromocatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromocatechol has 2 hydrogen bond donor(s) and 2 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 4-Bromocatechol?
The CAS number of 4-Bromocatechol is 17345-77-6.
What is the molecular formula of 4-Bromocatechol?
The molecular formula of 4-Bromocatechol is C6H5BrO2.
What is the molecular weight of 4-Bromocatechol?
The molecular weight of 4-Bromocatechol is 187.95 g/mol.
Where can I buy 4-Bromocatechol?
You can request a quote for 4-Bromocatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromocatechol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromocatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.