3-Chloropentanedioic acid
TL;DR: 3-Chloropentanedioic acid (CAS 27571-06-8) is a chemical compound with molecular formula C5H7ClO4 and molecular weight 166.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloropentanedioic acid
Also Known As: 3-Chloropentanedioic acid, 3-chloro glutaric acid, Pentanedioic acid, 3-chloro-, 3-Chloropentanedioic acid #
| Molecular Formula | C5H7ClO4 |
|---|---|
| Molecular Weight | 166.00 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.00328 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 27571-06-8 |
|---|---|
| SMILES | C(C(CC(=O)O)Cl)C(=O)O |
| InChIKey | QKFCRSKXBLOIQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloropentanedioic acid (CAS 27571-06-8), with molecular formula C5H7ClO4 and molecular weight 166.00 g/mol. IUPAC: 3-chloropentanedioic acid.
Chemical Property Profile of 3-Chloropentanedioic acid
Property Insights of 3-Chloropentanedioic acid
The XLogP value of -0.1 indicates that 3-Chloropentanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloropentanedioic acid. Following Lipinski's Rule of Five, 3-Chloropentanedioic acid has 2 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 3-Chloropentanedioic acid?
The CAS number of 3-Chloropentanedioic acid is 27571-06-8.
What is the molecular formula of 3-Chloropentanedioic acid?
The molecular formula of 3-Chloropentanedioic acid is C5H7ClO4.
What is the molecular weight of 3-Chloropentanedioic acid?
The molecular weight of 3-Chloropentanedioic acid is 166.00 g/mol.
Where can I buy 3-Chloropentanedioic acid?
You can request a quote for 3-Chloropentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloropentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloropentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.