1,2-Benzenediol, 3-bromo-
TL;DR: 1,2-Benzenediol, 3-bromo- (CAS 14381-51-2) 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.
3-bromobenzene-1,2-diol
Also Known As: 3-bromobenzene-1,2-diol, 3-Bromocatechol, 3-Bromopyrocatechol, bromocatechol, 1,2-Benzenediol, 3-bromo-
| Molecular Formula | C6H5BrO2 |
|---|---|
| Molecular Weight | 187.95 g/mol |
| LogP | 2.3 |
| 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 | 14381-51-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Br)O)O |
| InChIKey | JPBDMIWPTFDFEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenediol, 3-bromo- (CAS 14381-51-2), with molecular formula C6H5BrO2 and molecular weight 187.95 g/mol. IUPAC: 3-bromobenzene-1,2-diol.
Chemical Property Profile of 1,2-Benzenediol, 3-bromo-
Property Insights of 1,2-Benzenediol, 3-bromo-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenediol, 3-bromo-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,2-Benzenediol, 3-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenediol, 3-bromo- 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 1,2-Benzenediol, 3-bromo-?
The CAS number of 1,2-Benzenediol, 3-bromo- is 14381-51-2.
What is the molecular formula of 1,2-Benzenediol, 3-bromo-?
The molecular formula of 1,2-Benzenediol, 3-bromo- is C6H5BrO2.
What is the molecular weight of 1,2-Benzenediol, 3-bromo-?
The molecular weight of 1,2-Benzenediol, 3-bromo- is 187.95 g/mol.
Where can I buy 1,2-Benzenediol, 3-bromo-?
You can request a quote for 1,2-Benzenediol, 3-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenediol, 3-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenediol, 3-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.