3-chloropent-2-enedioic acid
TL;DR: 3-chloropent-2-enedioic acid (CAS 97602-86-3) is a chemical compound with molecular formula C5H5ClO4 and molecular weight 163.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloropent-2-enedioic acid
Also Known As: 3-chloropent-2-enedioic acid, 3-chloro-2-pentenedioic acid
| Molecular Formula | C5H5ClO4 |
|---|---|
| Molecular Weight | 163.99 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.98764 |
| Heavy Atoms | 10 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 97602-86-3 |
|---|---|
| SMILES | C(C(=CC(=O)O)Cl)C(=O)O |
| InChIKey | PPCWILRGIFTXNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-chloropent-2-enedioic acid (CAS 97602-86-3), with molecular formula C5H5ClO4 and molecular weight 163.99 g/mol. IUPAC: 3-chloropent-2-enedioic acid.
Chemical Property Profile of 3-chloropent-2-enedioic acid
Property Insights of 3-chloropent-2-enedioic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloropent-2-enedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloropent-2-enedioic acid. Following Lipinski's Rule of Five, 3-chloropent-2-enedioic 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-chloropent-2-enedioic acid?
The CAS number of 3-chloropent-2-enedioic acid is 97602-86-3.
What is the molecular formula of 3-chloropent-2-enedioic acid?
The molecular formula of 3-chloropent-2-enedioic acid is C5H5ClO4.
What is the molecular weight of 3-chloropent-2-enedioic acid?
The molecular weight of 3-chloropent-2-enedioic acid is 163.99 g/mol.
Where can I buy 3-chloropent-2-enedioic acid?
You can request a quote for 3-chloropent-2-enedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloropent-2-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-chloropent-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.