5,6-Dichlorovanillin
TL;DR: 5,6-Dichlorovanillin (CAS 18268-69-4) is a chemical compound with molecular formula C8H6Cl2O3 and molecular weight 219.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloro-4-hydroxy-5-methoxybenzaldehyde
Also Known As: 5,6-Dichlorovanillin, 2,3-DICHLORO-4-HYDROXY-5-METHOXYBENZALDEHYDE, Benzaldehyde, 2,3-dichloro-4-hydroxy-5-methoxy-, 2,3-dichloro-4-hydroxy-5-methoxy-benzaldehyde, 2,3-Dichlor-4-hydroxy-5-methoxy-benzaldehyd
| Molecular Formula | C8H6Cl2O3 |
|---|---|
| Molecular Weight | 219.97 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.9694 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 18268-69-4 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)C=O)Cl)Cl)O |
| InChIKey | LQDPWXPJJUUISU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Dichlorovanillin (CAS 18268-69-4), with molecular formula C8H6Cl2O3 and molecular weight 219.97 g/mol. IUPAC: 2,3-dichloro-4-hydroxy-5-methoxybenzaldehyde.
Chemical Property Profile of 5,6-Dichlorovanillin
Property Insights of 5,6-Dichlorovanillin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dichlorovanillin. With a topological polar surface area (TPSA) of 46.5 Ų, 5,6-Dichlorovanillin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dichlorovanillin has 1 hydrogen bond donor(s) and 3 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 5,6-Dichlorovanillin?
The CAS number of 5,6-Dichlorovanillin is 18268-69-4.
What is the molecular formula of 5,6-Dichlorovanillin?
The molecular formula of 5,6-Dichlorovanillin is C8H6Cl2O3.
What is the molecular weight of 5,6-Dichlorovanillin?
The molecular weight of 5,6-Dichlorovanillin is 219.97 g/mol.
Where can I buy 5,6-Dichlorovanillin?
You can request a quote for 5,6-Dichlorovanillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dichlorovanillin?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dichlorovanillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.