2-Chlorosyringaldehyde
TL;DR: 2-Chlorosyringaldehyde (CAS 76341-69-0) is a chemical compound with molecular formula C9H9ClO4 and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-hydroxy-3,5-dimethoxybenzaldehyde
Also Known As: 2-Chlorosyringaldehyde, Chlorosyringaldehyde, 2-CHLORO-4-HYDROXY-3,5-DIMETHOXYBENZALDEHYDE, Benzaldehyde,2-chloro-4-hydroxy-3,5-dimethoxy-, Benzaldehyde, 2-chloro-4-hydroxy-3,5-dimethoxy-
| Molecular Formula | C9H9ClO4 |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.01894 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 76341-69-0 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)C=O)Cl)OC)O |
| InChIKey | GRIHRCLOUQZXPD-UHFFFAOYSA-N |
Product Overview
2-Chlorosyringaldehyde (CAS 76341-69-0), with molecular formula C9H9ClO4 and molecular weight 216.02 g/mol. IUPAC: 2-chloro-4-hydroxy-3,5-dimethoxybenzaldehyde.
Chemical Property Profile of 2-Chlorosyringaldehyde
Property Insights of 2-Chlorosyringaldehyde
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chlorosyringaldehyde. With a topological polar surface area (TPSA) of 55.8 Ų, 2-Chlorosyringaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorosyringaldehyde has 1 hydrogen bond donor(s) and 4 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 2-Chlorosyringaldehyde?
The CAS number of 2-Chlorosyringaldehyde is 76341-69-0.
What is the molecular formula of 2-Chlorosyringaldehyde?
The molecular formula of 2-Chlorosyringaldehyde is C9H9ClO4.
What is the molecular weight of 2-Chlorosyringaldehyde?
The molecular weight of 2-Chlorosyringaldehyde is 216.02 g/mol.
Where can I buy 2-Chlorosyringaldehyde?
You can request a quote for 2-Chlorosyringaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorosyringaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorosyringaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.