3,4-Dichlorophenolate
TL;DR: 3,4-Dichlorophenolate (CAS 45670-76-6) is a chemical compound with molecular formula C6H3Cl2O- and molecular weight 160.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichlorophenolate
Also Known As: 3,4-dichlorophenolate, Phenol, 3,4-dichloro-, ion(1-)
| Molecular Formula | C6H3Cl2O- |
|---|---|
| Molecular Weight | 160.96 g/mol |
| LogP | 2.067 |
| Topological Polar Surface Area | 23.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.9561 |
| Heavy Atoms | 9 |
| Complexity | 222.29788 |
Chemical Identifiers
| CAS Number | 45670-76-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1[O-])Cl)Cl |
Product Overview
3,4-Dichlorophenolate (CAS 45670-76-6), with molecular formula C6H3Cl2O- and molecular weight 160.96 g/mol. IUPAC: 3,4-dichlorophenolate.
Chemical Property Profile of 3,4-Dichlorophenolate
Property Insights of 3,4-Dichlorophenolate
The XLogP value of 2.067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichlorophenolate. With a topological polar surface area (TPSA) of 23.06 Ų, 3,4-Dichlorophenolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dichlorophenolate has 0 hydrogen bond donor(s) and 1 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-Dichlorophenolate?
The CAS number of 3,4-Dichlorophenolate is 45670-76-6.
What is the molecular formula of 3,4-Dichlorophenolate?
The molecular formula of 3,4-Dichlorophenolate is C6H3Cl2O-.
What is the molecular weight of 3,4-Dichlorophenolate?
The molecular weight of 3,4-Dichlorophenolate is 160.96 g/mol.
Where can I buy 3,4-Dichlorophenolate?
You can request a quote for 3,4-Dichlorophenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorophenolate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorophenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.