3,4-Dichlorocatechol
TL;DR: 3,4-Dichlorocatechol (CAS 3978-67-4) is a chemical compound with molecular formula C6H4Cl2O2 and molecular weight 177.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichlorobenzene-1,2-diol
Also Known As: 3,4-DICHLOROCATECHOL, 3,4-dichlorobenzene-1,2-diol, DCBZ, dichlorocatechol, 3,4-Dichloro-1,2-benzenediol
| Molecular Formula | C6H4Cl2O2 |
|---|---|
| Molecular Weight | 177.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.95883 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 3978-67-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1O)O)Cl)Cl |
| InChIKey | HFSXRRTUWAPWSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorocatechol (CAS 3978-67-4), with molecular formula C6H4Cl2O2 and molecular weight 177.96 g/mol. IUPAC: 3,4-dichlorobenzene-1,2-diol.
Chemical Property Profile of 3,4-Dichlorocatechol
Property Insights of 3,4-Dichlorocatechol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichlorocatechol. With a topological polar surface area (TPSA) of 40.5 Ų, 3,4-Dichlorocatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorocatechol 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 3,4-Dichlorocatechol?
The CAS number of 3,4-Dichlorocatechol is 3978-67-4.
What is the molecular formula of 3,4-Dichlorocatechol?
The molecular formula of 3,4-Dichlorocatechol is C6H4Cl2O2.
What is the molecular weight of 3,4-Dichlorocatechol?
The molecular weight of 3,4-Dichlorocatechol is 177.96 g/mol.
Where can I buy 3,4-Dichlorocatechol?
You can request a quote for 3,4-Dichlorocatechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorocatechol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorocatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.