2-Chloroacetosyringone
TL;DR: 2-Chloroacetosyringone (CAS 94649-70-4) is a chemical compound with molecular formula C10H11ClO4 and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)ethanone
Also Known As: 2-Chloroacetosyringone, 1-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)ethanone, 1-(2-chloro-4-hydroxy-3,5-dimethoxy-phenyl)ethanone, 1-(2-Chloro-4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one
| Molecular Formula | C10H11ClO4 |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.03459 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 94649-70-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C(=C1Cl)OC)O)OC |
| InChIKey | BUCCQXBBUAYPLQ-UHFFFAOYSA-N |
Product Overview
2-Chloroacetosyringone (CAS 94649-70-4), with molecular formula C10H11ClO4 and molecular weight 230.03 g/mol. IUPAC: 1-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)ethanone.
Chemical Property Profile of 2-Chloroacetosyringone
Property Insights of 2-Chloroacetosyringone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroacetosyringone. With a topological polar surface area (TPSA) of 55.8 Ų, 2-Chloroacetosyringone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroacetosyringone 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-Chloroacetosyringone?
The CAS number of 2-Chloroacetosyringone is 94649-70-4.
What is the molecular formula of 2-Chloroacetosyringone?
The molecular formula of 2-Chloroacetosyringone is C10H11ClO4.
What is the molecular weight of 2-Chloroacetosyringone?
The molecular weight of 2-Chloroacetosyringone is 230.03 g/mol.
Where can I buy 2-Chloroacetosyringone?
You can request a quote for 2-Chloroacetosyringone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroacetosyringone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroacetosyringone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.