1,3-Benzenediol, 4,6-dichloro-
TL;DR: 1,3-Benzenediol, 4,6-dichloro- (CAS 137-19-9) 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.
4,6-dichlorobenzene-1,3-diol
Also Known As: 4,6-Dichlororesorcinol, 4,6-dichlorobenzene-1,3-diol, 1,3-Benzenediol, 4,6-dichloro-, dichlororesorcinol, 4,6-Dichloro-1,3-benzenediol
| Molecular Formula | C6H4Cl2O2 |
|---|---|
| Molecular Weight | 177.96 g/mol |
| LogP | 2.7 |
| 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 | 108.0 |
Chemical Identifiers
| CAS Number | 137-19-9 |
|---|---|
| SMILES | C1=C(C(=CC(=C1O)Cl)Cl)O |
| InChIKey | GRLQBYQELUWBIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenediol, 4,6-dichloro- (CAS 137-19-9), with molecular formula C6H4Cl2O2 and molecular weight 177.96 g/mol. IUPAC: 4,6-dichlorobenzene-1,3-diol.
Chemical Property Profile of 1,3-Benzenediol, 4,6-dichloro-
Property Insights of 1,3-Benzenediol, 4,6-dichloro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediol, 4,6-dichloro-. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Benzenediol, 4,6-dichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenediol, 4,6-dichloro- 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 1,3-Benzenediol, 4,6-dichloro-?
The CAS number of 1,3-Benzenediol, 4,6-dichloro- is 137-19-9.
What is the molecular formula of 1,3-Benzenediol, 4,6-dichloro-?
The molecular formula of 1,3-Benzenediol, 4,6-dichloro- is C6H4Cl2O2.
What is the molecular weight of 1,3-Benzenediol, 4,6-dichloro-?
The molecular weight of 1,3-Benzenediol, 4,6-dichloro- is 177.96 g/mol.
Where can I buy 1,3-Benzenediol, 4,6-dichloro-?
You can request a quote for 1,3-Benzenediol, 4,6-dichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediol, 4,6-dichloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 4,6-dichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.