2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid
TL;DR: 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid (CAS 53856-91-0) is a chemical compound with molecular formula C6H7ClO4 and molecular weight 178.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-5-oxooxolane-2-carboxylic acid
Also Known As: 2-(chloromethyl)-5-oxooxolane-2-carboxylic acid
| Molecular Formula | C6H7ClO4 |
|---|---|
| Molecular Weight | 178.00 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.00328 |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 53856-91-0 |
|---|---|
| SMILES | C1CC(OC1=O)(CCl)C(=O)O |
| InChIKey | ZINLNVALYGXEBE-UHFFFAOYSA-N |
Product Overview
2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid (CAS 53856-91-0), with molecular formula C6H7ClO4 and molecular weight 178.00 g/mol. IUPAC: 2-(chloromethyl)-5-oxooxolane-2-carboxylic acid.
Chemical Property Profile of 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid
Property Insights of 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid. Following Lipinski's Rule of Five, 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid 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-(Chloromethyl)-5-oxooxolane-2-carboxylic acid?
The CAS number of 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid is 53856-91-0.
What is the molecular formula of 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid?
The molecular formula of 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid is C6H7ClO4.
What is the molecular weight of 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid?
The molecular weight of 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid is 178.00 g/mol.
Where can I buy 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid?
You can request a quote for 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.