4,5-Dichloroguaiacol
TL;DR: 4,5-Dichloroguaiacol (CAS 2460-49-3) is a chemical compound with molecular formula C7H6Cl2O2 and molecular weight 191.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-2-methoxyphenol
Also Known As: 4,5-Dichloro-2-methoxyphenol, 4,5-DICHLOROGUAIACOL, Phenol, 4,5-dichloro-2-methoxy-, Phenol, dichloro-2-methoxy-, Phenol,4,5-dichloro-2-methoxy-
| Molecular Formula | C7H6Cl2O2 |
|---|---|
| Molecular Weight | 191.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.97449 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 2460-49-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1O)Cl)Cl |
| InChIKey | HAAFFTHBNFBVKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dichloroguaiacol (CAS 2460-49-3), with molecular formula C7H6Cl2O2 and molecular weight 191.97 g/mol. IUPAC: 4,5-dichloro-2-methoxyphenol.
Chemical Property Profile of 4,5-Dichloroguaiacol
Property Insights of 4,5-Dichloroguaiacol
The XLogP value of 3.3 indicates that 4,5-Dichloroguaiacol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 4,5-Dichloroguaiacol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dichloroguaiacol has 1 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 4,5-Dichloroguaiacol?
The CAS number of 4,5-Dichloroguaiacol is 2460-49-3.
What is the molecular formula of 4,5-Dichloroguaiacol?
The molecular formula of 4,5-Dichloroguaiacol is C7H6Cl2O2.
What is the molecular weight of 4,5-Dichloroguaiacol?
The molecular weight of 4,5-Dichloroguaiacol is 191.97 g/mol.
Where can I buy 4,5-Dichloroguaiacol?
You can request a quote for 4,5-Dichloroguaiacol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichloroguaiacol?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloroguaiacol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.